SCHEMBL10019784

SCHEMBL10019784

CCCc1ccc(-c2ccc(OCC)c(F)c2C=O)c(C=O)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.33
GABRA1 P14867 3/20 0.33
GABRB2 P47870 3/20 0.33
HTT P42858 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TACR2 P21452 1/20 0.31
ERN1 O75460 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL12579513 0.81 CTSS (0.56) CTSSCTSKCTSLTDP1L3MBTL1
SCHEMBL19240522 0.80 CTSL (0.47) CTSSCTSKCTSLGAATDP1
SCHEMBL10019959 0.79 L3MBTL1 (0.39) CTSSCTSKCTSLGAATDP1
SCHEMBL10019786 0.77 CTSL (0.47) CTSSCTSKCTSLGAAALDH1A1
SCHEMBL2599797 0.77 MAPT (0.41) GAATDP1L3MBTL1LMNAALDH1A1
SCHEMBL10303391 0.77 CTSS (0.49) CTSSCTSKCTSLL3MBTL1ALDH1A1
SCHEMBL14356142 0.75 CTSS (0.47) CTSSCTSKCTSLTDP1L3MBTL1
SCHEMBL10019610 0.75 BRD4 (0.34) GAATDP1L3MBTL1LMNAALDH1A1
SCHEMBL12238352 0.74 TYR (0.42) CTSSCTSKCTSLTDP1L3MBTL1
SCHEMBL10019899 0.73 CTSL (0.40) CTSSCTSKCTSLGABRA1GABRB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2669263-B1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
EP-2669263-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC Corporation (JP) 2013-12-04 EP disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
WO-2012086437-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC株式会社 (JP) 2012-06-28 WO disclosed