SCHEMBL3707635

SCHEMBL3707635

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1cccc(-c2cccc(C(=O)O)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CNR2 P34972 5/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33
ACR P10323 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
SCHEMBL3710286 0.93 MAPT (0.40) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3711048 0.93 ALDH1A1 (0.37) CTSAALDH1A1MAPTKDM4EHPGD
SCHEMBL3708502 0.88 IP6K1 (0.40) SMN1; SMN2L3MBTL1
SCHEMBL1246421 0.87 SCN9A (0.39) CTSAALDH1A1MAPTKDM4EHPGD
SCHEMBL3711309 0.86 FTO (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL3704916 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3707761 0.86 DUSP3 (0.35) CTSAALDH1A1MAPTKDM4EHPGD
SCHEMBL3705734 0.85 KMO (0.39)
SCHEMBL3707271 0.84 PDE4B (0.38) CTSAADRB2ADRB1ADRB3PDE4B
SCHEMBL2336147 0.83 NR1H4 (0.42)

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