SCHEMBL2343129

SCHEMBL2343129

CCOC(=O)N(c1ccc(OC)cc1F)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
VDR P11473 1/20 0.37
PPARD Q03181 1/20 0.37
PTGS1 P23219 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 3/20 0.36
PDE3A Q14432 1/20 0.36
FFAR1 O14842 5/20 0.36
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
BRD4 O60885 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL2340991 0.93 KLK7 (0.38) RXRAVDRPPARDKDM4EMAPT
SCHEMBL2337987 0.90 LPAR1 (0.40) LPAR1RXRARXRBRXRGLPAR2
SCHEMBL2337495 0.89 LPAR1 (0.40) LPAR1RXRARXRBRXRGPPARD
SCHEMBL2335539 0.87 LPAR1 (0.45) LPAR1RXRARXRBRXRGPTGS1
SCHEMBL1247343 0.86 PTGS2 (0.42) RXRARXRBRXRGVDRPPARD
SCHEMBL3709661 0.85 LPAR1 (0.41) LPAR1PPARDKDM4EMAPTLPAR2
SCHEMBL2341313 0.85 LPAR1 (0.40) LPAR1RXRARXRBRXRGKDM4E
SCHEMBL2341053 0.84 LPAR1 (0.42) LPAR1RXRARXRBRXRGPTGS1
SCHEMBL3712524 0.83 LPAR1 (0.42) LPAR1RXRARXRBPTGS1KDM4E
SCHEMBL3705976 0.83 ALDH1A1 (0.35) LPAR1ALOX15NPSR1LPAR2LPAR3

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 3 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 disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed