SCHEMBL9110565

SCHEMBL9110565

C=CC=C[CH]CCCCCC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
DNM1 Q05193 3/20 0.36
FASN P49327 1/20 0.35
EP300 Q09472 1/20 0.34

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
SCHEMBL4854817 1.00 TSHR (0.54) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL4854824 1.00 TSHR (0.54) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL19282565 0.90
SCHEMBL3078400 0.82 TSHR (0.62) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL2869472 0.82 TSHR (0.62) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL1395419 0.82 TSHR (0.62) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL1114864 0.82 TSHR (0.62) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL1076957 0.82 TSHR (0.62) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL10980289 0.82 TSHR (0.62) TSHRALDH1A1THRBFAAHTRPV1
SCHEMBL169329 0.82 TSHR (0.62) TSHRALDH1A1THRBFAAHTRPV1

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