SCHEMBL7440310

SCHEMBL7440310

CC(=O)SCC(Cc1ccccc1)n1c(=O)[nH]n(-c2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ABCC3 O15438 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
NR3C1 P04150 1/20 0.37
RARG P13631 1/20 0.37
CNR1 P21554 1/20 0.37
OPRK1 P41145 1/20 0.37
NR1H2 P55055 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H3 Q13133 1/20 0.37
NR1I3 Q14994 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL7435674 0.79 CHRM1 (0.36) MMECYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL7435783 0.79 CPA3 (0.36) CYP2C9CYP2C19KDM4EMAPTHSD17B10
SCHEMBL7440319 0.75 CNR1 (0.38) CYP2C9CYP2C19CYP1A2CYP3A4CNR1
SCHEMBL7435787 0.67 DAO (0.36) MAPTMEN1POLBKMT2ATSHR
SCHEMBL27337151 0.66 MME (0.49) MMECYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL6154521 0.65 CYP1A2 (0.63) MMECYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1337302 0.65 ALPI (0.55) MMECYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL838961 0.65 CYP1A2 (0.63) MMECYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL838962 0.65 CYP1A2 (0.63) MMECYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL859558 0.65 ALPI (0.55) MMECYP2C9CYP2C19CYP1A2CYP3A4

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed