SCHEMBL7981061

SCHEMBL7981061

Cc1cccc2c1OC(C)C(=S)N2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.53
BRD4 O60885 6/20 0.53
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.34
CHRM1 P11229 1/20 0.33
PGR P06401 1/20 0.32
ALOX12 P18054 1/20 0.30

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
SCHEMBL31402329 0.79 CREBBP (0.60) CREBBPBRD4PARP1
SCHEMBL5672928 0.79 CREBBP (0.60) CREBBPBRD4PARP1
SCHEMBL7985936 0.72 PARP1 (0.38) CREBBPBRD4ALDH1A1PARP1PGR
SCHEMBL16300073 0.71 CREBBP (0.50) CREBBPBRD4ALDH1A1PARP1ALOX12
SCHEMBL17680581 0.69 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680970 0.69 CREBBP (0.68) CREBBPBRD4
SCHEMBL10558622 0.69 CREBBP (0.47) CREBBPBRD4ALDH1A1
SCHEMBL14416706 0.67 BRD4 (0.39) CREBBPBRD4ALDH1A1
SCHEMBL31402309 0.67 CREBBP (0.58) CREBBPBRD4
SCHEMBL4971260 0.66 BRD4 (0.52) CREBBPBRD4ALDH1A1PARP1

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-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed