SCHEMBL3701994

SCHEMBL3701994

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(COc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.46
LIFR P42702 1/20 0.46
NR4A2 P43354 8/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
NR4A1 P22736 2/20 0.41
NR4A3 Q92570 2/20 0.41
SMPD1 P17405 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3710883 0.92 NR1H4 (0.48) NR1H4LIFRMRGPRX4SMPD1LMNA
SCHEMBL3706744 0.88 IP6K1 (0.43) NR1H4NPC1RAB9AMRGPRX4LMNA
SCHEMBL2336147 0.88 NR1H4 (0.42) NR1H4LIFRMRGPRX4LMNA
SCHEMBL1245111 0.87 NR1H4 (0.50) NR1H4LIFRNR4A2NPC1RAB9A
SCHEMBL3702563 0.86 NR1H4 (0.46) NR1H4
SCHEMBL3714244 0.85 KMO (0.41) NR1H4HPGD
SCHEMBL3708502 0.85 IP6K1 (0.40) NR1H4LIFRNPC1RAB9A
SCHEMBL2335317 0.85 LPAR1 (0.38) NR1H4NPC1RAB9ALMNAHPGD
SCHEMBL3706639 0.84 IP6K1 (0.41) NPC1RAB9ALMNAHPGD
SCHEMBL3708634 0.83 ALDH1A1 (0.42) NR1H4NPC1RAB9ASMPD1

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