SCHEMBL7435110

SCHEMBL7435110

CC(=O)SCC(Cc1ccccc1)NC(=O)NNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.46
ACE P12821 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCC3 O15438 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB11 O95342 1/20 0.45
NR3C1 P04150 1/20 0.45
RARG P13631 1/20 0.45
CNR1 P21554 1/20 0.45
OPRK1 P41145 1/20 0.45
NR1H2 P55055 1/20 0.45
PPARA Q07869 1/20 0.45
NR1H3 Q13133 1/20 0.45
NR1I3 Q14994 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL9587602 0.84 MME (0.48) MMEACECYP3A4CYP1A2CYP2D6
SCHEMBL7298881 0.81 MME (0.58) MMEACECYP3A4CYP1A2CYP2D6
SCHEMBL9588793 0.81 CYP3A4 (0.46) MMEACECYP3A4CYP1A2CYP2D6
SCHEMBL7450894 0.80 MME (0.52) MMEACECYP3A4CYP1A2CYP2D6
SCHEMBL8837469 0.80 FCER2 (0.50) MMEACECYP3A4CYP1A2CYP2D6
SCHEMBL9587977 0.80 KMT2A (0.59) MMEOPRK1TSHRNPC1RAB9A
SCHEMBL9589208 0.79 CASR (0.47) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9068533 0.79 MME (0.62) MMEACECYP3A4MAPK1PAM
SCHEMBL7304584 0.79 MME (0.46) MMEACECYP3A4CYP1A2CYP2D6
SCHEMBL18576675 0.78 CTRB1 (0.65) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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