SCHEMBL28816729

SCHEMBL28816729

CCCCCCCCCCCCCCCCCCCCCCNONCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.52
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.47
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
PPARA Q07869 2/20 0.41
GBA1 P04062 3/20 0.39
CASP2 P42575 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 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
SCHEMBL9004304 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL19812469 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL19812478 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL10962117 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL19812452 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL4826887 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL19812468 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL19812457 1.00 EPHX1 (0.52) EPHX1TSHRALDH1A1THRBADH1B
Hydrochloric Acid SCHEMBL27725444 0.97 EPHX1 (0.50) EPHX1TSHRALDH1A1THRBADH1B
SCHEMBL2437159 0.97 TSHR (0.53) EPHX1TSHRALDH1A1THRBADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110016811-B Treating agent for synthetic fiber and synthetic fiber 竹本油脂株式会社 2022-07-22 CN disclosed