SCHEMBL10118977

SCHEMBL10118977

C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.58
CTSS P25774 4/20 0.58
CTSB P07858 2/20 0.58
CTSV O60911 2/20 0.58
GPR132 Q9UNW8 7/20 0.57
CTSK P43235 2/20 0.56
CMKLR2 P46091 1/20 0.54
CMKLR1 Q99788 1/20 0.54
LMNA P02545 1/20 0.53
PSMB5 P28074 2/20 0.53
ACE P12821 1/20 0.50
ECE1 P42892 1/20 0.50

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
SCHEMBL10119250 0.88 PSMB5 (0.65) CTSLCTSSCTSBCTSKPSMB5
SCHEMBL7318555 0.88 PSMB5 (0.65) CTSLCTSSCTSBCTSKPSMB5
SCHEMBL14297659 0.87 PSMB5 (0.56) CTSLCTSSCTSBCTSVCTSK
SCHEMBL10118950 0.87 PSMB5 (0.56) CTSLCTSSCTSBCTSVCTSK
SCHEMBL12516880 0.87 PSMB5 (0.56) CTSLCTSSCTSBCTSVGPR132
SCHEMBL10659411 0.86 GPR132 (0.72) CTSLCTSSCTSBCTSVGPR132
SCHEMBL202770 0.85 CTSL (0.60) CTSLCTSSCTSBCTSVGPR132
SCHEMBL27547470 0.85 CTSL (0.60) CTSLCTSSCTSBCTSVGPR132
SCHEMBL10118994 0.85 CTSB (0.51) CTSLCTSSCTSBCTSVGPR132
SCHEMBL7315389 0.83 PSMB5 (0.60) CTSLCTSSCTSBCTSKPSMB5

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
WO-2012004554-A1 ALDEHYDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2012-01-12 WO disclosed