SCHEMBL2120942

SCHEMBL2120942

CC(=O)C(CC(C)C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.49
▸ CTSK P43235 2/20 0.49
▸ KCNQ2 O43526 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CYP2C19 P33261 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1716112 0.86 CYP2C19 (0.53) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL8350075 0.85 CTSK (0.65) CTSSCTSKCTSL
SCHEMBL15828118 0.85 CTSS (0.47) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL9577303 0.82 CTSS (0.48) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL27774147 0.82 LMNA (0.50) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL13619700 0.82 POLB (0.51) LMNAALDH1A1CYP2C19EPHX1HSD17B10
SCHEMBL3036448 0.82 EPHX1 (0.59) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL1801672 0.81 LMNA (0.56) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL11508430 0.79 KMT2A (0.56) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL13020177 0.79 LMNA (0.58) KCNQ2LMNAALDH1A1HSD17B10CRHBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 — — EP claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
US-20140178606-A1 CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2014-06-26 — — US disclosed
US-8477275-B2 Optical film and liquid crystal display device FUJIFILM CORPORATION (JP) 2013-07-02 — — US disclosed
US-20130128359-A1 OPTICAL FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY APPARATUS FUJIFILM CORPORATION (JP) 2013-05-23 — — US disclosed
US-8420187-B2 Cellulose acylate composition, cellulose acylate film, and its applications FUJIFILM CORPORATION (JP) 2013-04-16 — — US disclosed
WO-2013032016-A1 CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2013-03-07 — — WO disclosed
US-20120092594-A1 OPTICAL FILM AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-04-19 — — US disclosed
US-20120092595-A1 Optical film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-19 — — US disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 — — EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 — — WO disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 — — WO disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 — — WO disclosed
US-6274556-B1 ADMINISTERING POLYPEPTIDE DERIVATIVE TO TREAT INFLAMMATORY BOWEL DISEASE AND TO PREVENT LEUKOCYTE INFILTRATION INTO TISSUES MILLENNIUM PHARMACEUTICALS, INC. 2001-08-14 — — US disclosed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 — — EP disclosed
US-5925527-A SCREENING NEW PHARMACEUTICALS TREGA BIOSCIENCES, INC. (US) 1999-07-20 — — US disclosed
EP-0871670-A2 INHIBITORS OF MAdCAM-1-MEDIATED INTERACTIONS AND METHODS OF USE THEREFOR Leukosite, Inc. (US) 1998-10-21 — — EP disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO disclosed
WO-1997025351-A2 INHIBITORS OF MAdCAM-1-MEDIATED INTERACTIONS AND METHODS OF USE THEREFOR LEUKOSITE, INC. (US) 1997-07-17 — — WO disclosed
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