SCHEMBL7350904

SCHEMBL7350904

CC(=O)OC(=O)c1c(C)cc(C)cc1C.C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.55
CTSL P07711 6/20 0.52
CTSB P07858 3/20 0.52
CTSS P25774 2/20 0.51
CTSK P43235 2/20 0.51
TACR1 P25103 2/20 0.48
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL7318489 0.89 CAPN1 (0.55) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7434411 0.88 CAPN1 (0.55) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL9818701 0.87 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL5484209 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL31397615 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL7281206 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL9088735 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL10967811 0.84 CAPN1 (0.72) CAPN1CTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL7321688 0.82 LTA4H (0.45) MMEECE1
SCHEMBL7316923 0.82 CAPN1 (0.67) CAPN1CTSLCTSBCTSSCTSK

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-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US claimed