SCHEMBL5711207

SCHEMBL5711207

COc1ccc(COC(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
ALDH1A1 P00352 2/20 0.55
CTSD P07339 1/20 0.53
ADAMTS4 O75173 1/20 0.53
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
ECE1 P42892 2/20 0.49
MME P08473 1/20 0.49
CTSB P07858 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 1/20 0.49
LDHA P00338 1/20 0.49
TYR P14679 1/20 0.48
ELANE P08246 2/20 0.47
PRTN3 P24158 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
SCHEMBL19607509 0.91 CTSL (0.55) ATMCTSLCTSSCTSKECE1
SCHEMBL9829374 0.90 ATM (0.63) ATMALDH1A1CTSDADAMTS4CTSL
SCHEMBL9829383 0.90 ATM (0.63) ATMALDH1A1CTSDADAMTS4CTSL
SCHEMBL7870090 0.88 ATM (0.60) ATMALDH1A1CTSDCTSLCTSS
SCHEMBL7870088 0.88 ATM (0.60) ATMALDH1A1CTSDCTSLCTSS
SCHEMBL11816446 0.86 ATM (0.67) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL8604954 0.86 CTSL (0.51) ATMCTSLCTSSCTSKECE1
SCHEMBL10441764 0.86 ATM (0.67) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL6149680 0.86 CTSL (0.51) ATMCTSLCTSSCTSKECE1
SCHEMBL220569 0.85 CTSL (0.63) ATMCTSLCTSSCTSKECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed