SCHEMBL3707844

SCHEMBL3707844

CCOC(=O)Cc1cccc(-c2cccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PPARD Q03181 4/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2338062 0.96 LPAR1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3709586 0.94 LPAR1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3708660 0.93 LPAR1 (0.40) PPARDLPAR1LPAR2LPAR3MAPT
SCHEMBL3714488 0.93 L3MBTL1 (0.34) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3713874 0.90 L3MBTL1 (0.37) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3713473 0.89 PPARD (0.39) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL2335497 0.89 LPAR1 (0.45) PPARDLPAR1LPAR2LPAR3
SCHEMBL3713548 0.88 LPAR1 (0.37) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3704850 0.88 GPBAR1 (0.34) HTTNPC1RAB9AALDH1A1PPARD
SCHEMBL3717656 0.88 KMT2A (0.34) L3MBTL1HTTSMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed