SCHEMBL11267053

SCHEMBL11267053

COc1cccc(C2SCC(C(=O)O)N2CCC(=O)SSC(=O)CCN2C(C(=O)O)CSC2c2cccc(OC)c2O)c1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 11/20 0.41
▸ ACE P12821 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL11191876 0.82 ACE (0.39) FFAR2ACEHTTPOLBGAA
SCHEMBL10969787 0.82 ACE (0.57) FFAR2ACEHTTPOLB
SCHEMBL11195295 0.81 ACE (0.38) FFAR2ACEHTTPOLB
SCHEMBL11191943 0.78 ALDH1A1 (0.43) FFAR2ACEHTTPOLB
SCHEMBL11192578 0.78 LMNA (0.53) FFAR2ACEHTTPOLB
SCHEMBL11267042 0.78 ACE (0.53) FFAR2ACEHTTPOLBGAA
SCHEMBL11183354 0.78 GAA (0.59) FFAR2HTTPOLBGAARAB9A
SCHEMBL11257867 0.77 HSD17B10 (0.45) FFAR2ACEPOLBGAARAB9A
SCHEMBL11102513 0.76 ACE (0.68) FFAR2ACEHTTPOLBGAA
SCHEMBL11189466 0.75 GAA (0.37) FFAR2POLBGAARAB9A

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-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US claimed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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