SCHEMBL9397223

SCHEMBL9397223

CCCC(=NC#N)OCC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9397218 1.00 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL9616483 0.88 CES1 (0.31) ALDH1A1TSHR
SCHEMBL9616484 0.88 CES1 (0.31) ALDH1A1TSHR
SCHEMBL4104107 0.82
SCHEMBL4104103 0.82
SCHEMBL9198478 0.82
SCHEMBL741152 0.80
SCHEMBL5372348 0.80
SCHEMBL6570499 0.78
SCHEMBL11214991 0.78 MEN1 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412531-B1 Benzopyran compounds, processes for their production and pharmaceutical compositions KAKEN PHARMA CO LTD (JP) 1994-05-11 EP disclosed
US-5095016-A Hypotensive KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0412531-A1 Benzopyran compounds, processes for their production and pharmaceutical compositions Kaken Pharmaceutical Co., Ltd. (JP) 1991-02-13 EP disclosed
US-4269836-A ANTIINFLAMMATORY AGENTS; CENTRAL NERVOUS SYSTEM DEPRESSANTS; SEDATIVES E. R. SQUIBB & SONS, INC. (US) 1981-05-26 US disclosed
US-4127655-A ANTIINFLAMMATORY, CNS DEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4110454-A ANTIINFLAMMATORY, CNS DEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1978-08-29 US disclosed
US-4078064-A ANTIINFLAMMATORY AGENTS, CNS DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed