SCHEMBL11099145

SCHEMBL11099145

CCCCCCCCCCCCCCCCCCCCCCCCCN[C]=S

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
THRB P10828 1/20 0.42
NAAA Q02083 1/20 0.41
PPARA Q07869 2/20 0.38
GBA1 P04062 3/20 0.37
CASP2 P42575 1/20 0.37

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
SCHEMBL11104427 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL6006564 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9206362 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL293425 1.00
SCHEMBL3250894 1.00 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL293422 0.97
SCHEMBL270589 0.89
SCHEMBL270032 0.77
SCHEMBL148471 0.74 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9661841 0.74 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C

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
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP disclosed