SCHEMBL20045004

SCHEMBL20045004

C[Si](C)(C)c1cc(C(=O)Nc2ccc(/C=C/C(=O)O)c(F)c2)cc(S(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
ITGB3 P05106 10/20 0.39
ITGAV P06756 10/20 0.39
ITGA2B P08514 10/20 0.39
ITGB1 P05556 2/20 0.39
ITGB5 P18084 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR2B P41595 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3019725 0.90 MIF (0.47) MIFITGB3ITGAVITGA2BITGB1
SCHEMBL3019728 0.90 MIF (0.47) MIFITGB3ITGAVITGA2BITGB1
SCHEMBL19449956 0.90 MIF (0.47) MIFITGB3ITGAVITGA2BITGB1
SCHEMBL3032267 0.80 CA12 (0.40) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL3032266 0.80 CA12 (0.40) ITGB3ITGAVITGA2BNPC1RAB9A
SCHEMBL13014961 0.78 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3023901 0.77 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3023900 0.77 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3024513 0.76 P2RX3 (0.40) NPC1RAB9APKMMAOAMAOB
SCHEMBL3024515 0.76 P2RX3 (0.40) NPC1RAB9APKMMAOAMAOB

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
WO-2018067946-A1 METHODS OF TREATING PATIENTS WITH A RETINOIC ACID RECEPTOR-ALPHA AGONIST AND AN ANTI-CD38 ANTIBODY SYROS PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed