SCHEMBL7732434

SCHEMBL7732434

CC(C)(C)c1ccc2oc(C(O)[C@@H](CCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.43
CTSB P07858 3/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.39
ELANE P08246 1/20 0.37

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
SCHEMBL7723017 0.86 LMNA (0.45) CTSLATMNPC1RAB9AMAPT
SCHEMBL7734143 0.85 ATM (0.46) CTSLCTSBATM
SCHEMBL7723243 0.81 CTSL (0.43) CTSLCTSBCTSSCTSKNPC1
SCHEMBL5731226 0.79 CTSK (0.46) CTSSCTSKATMRAB9AMAPT
SCHEMBL5731227 0.79 CTSK (0.46) CTSSCTSKATMRAB9AMAPT
Trifluoroacetic Acid SCHEMBL7732038 0.78 CTSL (0.41) CTSLCTSBCTSSCTSKNPC1
SCHEMBL7730692 0.78 CTSL (0.42) CTSLCTSBCTSSCTSKNPC1
SCHEMBL8066082 0.78 TRPM8 (0.47) CTSLCTSSCTSKATMNPC1
SCHEMBL6063007 0.77 CTSL (0.51) CTSLCTSBCTSSCTSK
SCHEMBL12221562 0.77 ATM (0.51) ATMNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed