SCHEMBL2337280

SCHEMBL2337280

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3N(C(=O)OCC)c3cc(Br)cc(Br)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LPAR1 Q92633 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP4Z1 Q86W10 1/20 0.34
PKM P14618 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
SYK P43405 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 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
SCHEMBL2335503 0.92 LPAR1 (0.44) ALDH1A1LPAR1HTTPKMKDM4E
SCHEMBL3702406 0.92 ALDH1A1 (0.36) ALDH1A1LPAR1L3MBTL1ALOX15CRHBP
SCHEMBL2335059 0.87 LPAR1 (0.41) ALDH1A1LPAR1L3MBTL1CYP4Z1PKM
SCHEMBL3705980 0.85 ALDH1A1 (0.37) ALDH1A1LPAR1L3MBTL1ALOX15CRHBP
SCHEMBL2338529 0.84 LPAR1 (0.44) ALDH1A1LPAR1HTTPKMKDM4E
SCHEMBL2635999 0.82 ABCC3 (0.39) LPAR1
SCHEMBL2337994 0.82 HDAC6 (0.43) HDAC4HDAC6SYKMAPT
SCHEMBL2336265 0.82 LPAR1 (0.41) ALDH1A1LPAR1L3MBTL1ALOX15CRHBP
SCHEMBL3706822 0.82 ALDH1A1 (0.37) ALDH1A1LPAR1L3MBTL1ALOX15CRHBP
SCHEMBL2636202 0.81 LPAR1 (0.45) ALDH1A1LPAR1PKMKDM4EPOLB

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-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