SCHEMBL2336147

SCHEMBL2336147

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.42
LIFR P42702 1/20 0.42
HSD17B13 Q7Z5P4 1/20 0.39
IP6K1 Q92551 2/20 0.39
IP6K3 Q96PC2 2/20 0.39
IP6K2 Q9UHH9 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.37
KMO O15229 1/20 0.37
DUSP3 P51452 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL3708502 0.95 IP6K1 (0.40) NR1H4LIFRHSD17B13IP6K1IP6K3
SCHEMBL2335317 0.92 LPAR1 (0.38) NR1H4IP6K1IP6K3IP6K2LMNA
SCHEMBL3706744 0.90 IP6K1 (0.43) NR1H4IP6K1IP6K3IP6K2LMNA
SCHEMBL3712570 0.90 CYP2C9 (0.36) NR1H4IP6K1IP6K3IP6K2
SCHEMBL3705734 0.89 KMO (0.39) NR1H4LIFRIP6K1IP6K3IP6K2
SCHEMBL3714244 0.89 KMO (0.41) NR1H4KMO
SCHEMBL3707271 0.88 PDE4B (0.38) NR1H4LIFRIP6K1IP6K3IP6K2
SCHEMBL2335497 0.88 LPAR1 (0.45) NR1H4
SCHEMBL3701994 0.88 NR1H4 (0.46) NR1H4LIFRLMNAMRGPRX4
SCHEMBL3714395 0.87 NR1H4 (0.40) NR1H4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed