SCHEMBL27520437

SCHEMBL27520437

O=C(NC(Cc1ccccc1)C(=O)NO)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.64
LMNA P02545 1/20 0.57
CTRC Q99895 1/20 0.57
CTSL P07711 5/20 0.56
CTSS P25774 2/20 0.56
CTSV O60911 1/20 0.56
CTSB P07858 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
GPR132 Q9UNW8 4/20 0.56
CMKLR2 P46091 1/20 0.55
CMKLR1 Q99788 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
GRIA1 P42261 1/20 0.53

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
SCHEMBL7415738 1.00 ECE1 (0.64) ECE1LMNACTRCCTSLCTSS
SCHEMBL201265 0.94 ECE1 (0.55) ECE1LMNACTRCCTSLCTSS
SCHEMBL27518028 0.94 ECE1 (0.55) ECE1LMNACTRCCTSLCTSS
SCHEMBL202770 0.92 CTSL (0.60) ECE1LMNACTRCCTSLCTSS
SCHEMBL27547470 0.92 CTSL (0.60) ECE1LMNACTRCCTSLCTSS
SCHEMBL15869689 0.89 ECE1 (0.62) ECE1LMNACTRCCTSLCTSS
SCHEMBL3497405 0.88 GPR132 (0.69) ECE1LMNACTRCGPR132CMKLR2
SCHEMBL30037998 0.88 GPR132 (0.69) ECE1LMNACTRCGPR132CMKLR2
SCHEMBL2229201 0.88 GPR132 (0.69) ECE1LMNACTRCGPR132CMKLR2
SCHEMBL7417163 0.86 CTSL (0.68) CTSLCTSSCTSBHDAC1KMT2A

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
CN-1265647-A Acyclic metalloprotease inhibitors PROCTER & GAMBLE (US) 2000-09-06 CN disclosed