SCHEMBL3701035

SCHEMBL3701035

CCC(S)(S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.44
TAAR1 Q96RJ0 1/20 0.41
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.36
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL767319 0.81 KCNN4 (0.46) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL4811042 0.79 KCNN4 (0.44) KCNN4TAAR1MAPK1ALDH1A1TSHR
Hydrogen Sulfide SCHEMBL28845172 0.79 KCNN4 (0.44) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL12834072 0.77 TAAR1 (0.44) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL14608023 0.77 TAAR1 (0.44) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL879532 0.77 TAAR1 (0.44) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL8810615 0.74 KCNN4 (0.38) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL8954895 0.74 TAAR1 (0.52) KCNN4TAAR1ALDH1A1TSHR
SCHEMBL23710130 0.73 TAAR1 (0.37) KCNN4TAAR1MAPK1ALDH1A1TSHR
SCHEMBL5740730 0.72 TAAR1 (0.50) KCNN4TAAR1MAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114286852-A Polymerizable liquid crystal composition 罗利克技术有限公司 2022-04-05 CN disclosed
US-9376524-B2 Composition for forming thermally-cured coating film and thermally-cured coating film FUJIFILM CORPORATION (JP) 2016-06-28 US disclosed
US-20140296426-A1 COMPOSITION FOR FORMING THERMALLY-CURED COATING FILM AND THERMALLY-CURED COATING FILM FUJIFILM CORPORATION (JP) 2014-10-02 US disclosed
WO-2010081713-A1 SELF HEALING COMPOSITION STICHTING DUTCH POLYMER INSTITUTE (NL) 2010-07-22 WO disclosed
EP-2208611-A1 Self healing composition Stichting Dutch Polymer Institute (NL) 2010-07-21 EP disclosed