SCHEMBL9112975

SCHEMBL9112975

C=CC=CCCCCC[CH]C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
FASN P49327 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LSS P48449 2/20 0.32
SOAT1 P35610 1/20 0.31
FAAH O00519 2/20 0.30
TRPV1 Q8NER1 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
SCHEMBL7194948 1.00 TSHR (0.33) TSHRFASNALDH1A1LSSSOAT1
SCHEMBL21585499 1.00 TSHR (0.33) TSHRFASNALDH1A1LSSSOAT1
SCHEMBL19974063 1.00 TSHR (0.33) TSHRFASNALDH1A1LSSSOAT1
SCHEMBL21585500 0.97 ALDH1A1 (0.33) TSHRALDH1A1LSS
SCHEMBL9111253 0.97 ALDH1A1 (0.33) TSHRALDH1A1LSS
SCHEMBL9110796 0.92
SCHEMBL5555328 0.91 TSHR (0.39) TSHRFASNALDH1A1SOAT1
SCHEMBL8621883 0.91 TSHR (0.39) TSHRFASNALDH1A1SOAT1
SCHEMBL11567093 0.87 TSHR (0.35) TSHRFASNALDH1A1FAAHTRPV1
SCHEMBL25178879 0.85 SOAT1 (0.38) TSHRFASNALDH1A1LSSSOAT1

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
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed