SCHEMBL7746032

SCHEMBL7746032

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
PTPN7 P35236 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TRPA1 O75762 2/20 0.35
PARK7 Q99497 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
SCHEMBL7740953 0.86 ALDH1A1 (0.45) MEN1KMT2ALMNAMAPT
SCHEMBL7741469 0.85 PTGDR2 (0.42) MEN1MAPK1KMT2AMAPTTRPA1
SCHEMBL7741250 0.76 AGTR1 (0.36) PTPN7LMNAMAPT
SCHEMBL7741102 0.76 CHRM5 (0.39) MEN1KMT2ARAB9ACASP3SMN1; SMN2
SCHEMBL7745715 0.75 AGTR1 (0.35)
SCHEMBL7745310 0.74 POLB (0.45) KMT2ALMNAMAPT
SCHEMBL7746494 0.73 MAPT (0.39) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL7741615 0.73 CNR2 (0.42)
SCHEMBL14884742 0.69 PARK7 (0.65) TRPA1PARK7
SCHEMBL13627970 0.66 CHRM5 (0.53) CASP3TRPA1

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