SCHEMBL21189657

SCHEMBL21189657

CC(c1ccccc1)(c1ccc(S)cc1S)c1ccc(S)cc1S

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2B6 P20813 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNN4 O15554 2/20 0.30

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
SCHEMBL21189663 0.90 ESR1 (0.30) ESR1ESR2
SCHEMBL21189658 0.90 KIF11 (0.41) ESR1ESR2ALDH1A1
SCHEMBL22737598 0.85 ESR1 (0.39) ESR1ESR2MAPK1ALDH1A1TSHR
SCHEMBL21189652 0.81 ESR2 (0.55) ESR1ESR2MAPK1ALDH1A1TSHR
SCHEMBL22738142 0.81 PDE2A (0.35) ESR1ESR2
SCHEMBL21189690 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4CYP2D6KCNN4
SCHEMBL21189651 0.79 ESR1 (0.45) ESR1ESR2MAPK1ALDH1A1TSHR
SCHEMBL22991402 0.77
SCHEMBL22737905 0.77 ESR1 (0.46) ESR1ESR2MAPK1ALDH1A1CYP2B6
SCHEMBL21189655 0.74 ESR1 (0.60) ESR1ESR2MAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 US disclosed
EP-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP disclosed
WO-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 WO disclosed