SCHEMBL28847779

SCHEMBL28847779

Nc1ccc(-c2ccc3occcc2-3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.62
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMARCA2 P51531 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL1161258 0.77 TAAR1 (1.00) TAAR1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL21295866 0.77 KDM4E (0.36) TAAR1ALDH1A1HSD17B10GAAMAPT
SCHEMBL28879160 0.76 KDM4E (0.49) TAAR1ALDH1A1HSD17B10GAAMAPT
SCHEMBL29755699 0.75 KDM4E (0.51) TAAR1ALDH1A1HSD17B10GAAMAPT
SCHEMBL7116127 0.75 KDM4E (0.51) TAAR1ALDH1A1HSD17B10GAAMAPT
SCHEMBL9246341 0.73 HSD17B10 (0.63) TAAR1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL29007097 0.73 MAPT (0.53) TAAR1ALDH1A1HSD17B10GAAMAPT
SCHEMBL2008325 0.73 TAAR1 (0.45) TAAR1ALDH1A1HSD17B10GAAMAPT
SCHEMBL15695597 0.72 TAAR1 (0.55) TAAR1ALDH1A1HSD17B10GAAMAPT
SCHEMBL13941274 0.71 HSD17B10 (0.60) TAAR1ALDH1A1HSD17B10MAPTKDM4E

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
CN-107669669-A novel glucagon receptor antagonist 症变治疗公司 2018-02-09 — — CN disclosed
CN-101610995-B Glucagon receptor antagonists 症变治疗公司 2017-08-08 — — CN disclosed
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