SCHEMBL12464474

SCHEMBL12464474

NC(=O)C(Cc1cccs1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.58
MC5R P33032 2/20 0.56
MC1R Q01726 2/20 0.56
MMP2 P08253 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51

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
SCHEMBL12464473 0.92 MC5R (0.57) CTSCMC5RMC1RMMP2MMP7
SCHEMBL12464194 0.90 CTSC (0.67) CTSC
SCHEMBL12464197 0.89 MC5R (0.68) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464359 0.89 MC5R (0.68) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464195 0.89 MC5R (0.68) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464361 0.86 CTSC (0.53) CTSC
SCHEMBL12464476 0.84 MC5R (0.61) MC5RMC1RMMP2MMP7MMP9
SCHEMBL12464200 0.81 CTSC (0.56) CTSC
SCHEMBL12464481 0.81 MC5R (0.59) MC5RMC1R
SCHEMBL12464202 0.81 MC5R (0.59) MC5RMC1R

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
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed