SCHEMBL2430353

SCHEMBL2430353

CCC(C(=O)O)c1cc(Cl)c(NC(=O)c2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 10/20 0.53
▸ CNR1 P21554 2/20 0.43
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BUB1 O43683 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL5369878 0.84 PTGER4 (0.56) PTGER4CNR1POLBMAPTCNR2
SCHEMBL27581126 0.83 PTGER4 (0.51) PTGER4CNR1POLBMAPTCNR2
SCHEMBL2433516 0.83 KDM4E (0.45) RIPK1KDM4EALDH1A1HSD17B10
SCHEMBL14592697 0.81 PTGER4 (0.51) PTGER4CNR1POLBMAPTCNR2
SCHEMBL2435623 0.74 NR1I2 (0.40) PTGER4POLBKDM4EALDH1A1HSD17B10
SCHEMBL2432642 0.74 EPHB3 (0.54) —
SCHEMBL2433943 0.74 MAPT (0.48) POLBMAPT
SCHEMBL2432847 0.74 ITGB1 (0.46) MAPTCNR2KDM4EALDH1A1MEN1
SCHEMBL3428359 0.73 PTGER4 (0.66) PTGER4CNR1POLBMAPTCNR2
SCHEMBL1219481 0.73 PTGER4 (0.88) PTGER4CNR1POLBCNR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed
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