SCHEMBL7745598

SCHEMBL7745598

COC(=O)c1ccc(CO/N=C2/C(=O)N(CC(=O)Cl)c3ccc(F)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.37
CHRM5 P08912 1/20 0.36
UCHL1 P09936 2/20 0.36
UCHL3 P15374 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
MAPK14 Q16539 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL7746032 0.91 FFAR4 (0.39) PTPN7MEN1MAPK1KMT2ARAB9A
SCHEMBL7745479 0.86 ALDH1A1 (0.47) KMT2A
SCHEMBL7741102 0.85 CHRM5 (0.39) CHRM5UCHL1UCHL3MEN1KMT2A
SCHEMBL7740953 0.77 ALDH1A1 (0.45) MEN1KMT2A
SCHEMBL7741469 0.76 PTGDR2 (0.42) CHRM5UCHL1UCHL3MEN1MAPK1
SCHEMBL7741250 0.76 AGTR1 (0.36) PTPN7
SCHEMBL7745715 0.74 AGTR1 (0.35)
SCHEMBL7745310 0.74 POLB (0.45) KMT2A
SCHEMBL7741615 0.74 CNR2 (0.42) CHRM5
SCHEMBL7746494 0.72 MAPT (0.39) RAB9AGAA

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed