SCHEMBL2334207

SCHEMBL2334207

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3N(C(=O)OCC)c3ccc(Cl)cc3F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KLK7 P49862 3/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 6/20 0.37
ALOX15 P16050 2/20 0.36
HTT P42858 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL2337495 0.93 LPAR1 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2LPAR1
SCHEMBL2337997 0.91 ALDH1A1 (0.43) ALDH1A1KLK7KDM4EHPGDSMN1; SMN2
SCHEMBL3705976 0.91 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2ALOX15HTT
SCHEMBL2340991 0.89 KLK7 (0.38) ALDH1A1KLK7KDM4ESMN1; SMN2MAPT
SCHEMBL3702504 0.88 ALDH1A1 (0.37) ALDH1A1KLK7KDM4EHPGDSMN1; SMN2
SCHEMBL2335475 0.87 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTHTT
SCHEMBL3705660 0.85 SYK (0.35) ALDH1A1KDM4ESMN1; SMN2ALOX15HTT
SCHEMBL2333294 0.84 LPAR1 (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL2337987 0.84 LPAR1 (0.40) LPAR1LPAR2LPAR3
SCHEMBL3715778 0.84 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTHTT

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