SCHEMBL21189687

SCHEMBL21189687

Sc1ccccc1C(c1ccccc1)(c1ccccc1)c1ccccc1S

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KCNN4 O15554 7/20 0.36
MAPT P10636 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MAPK1 P28482 1/20 0.32
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
KIF11 P52732 1/20 0.31
CYP1A2 P05177 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 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
SCHEMBL22991337 0.84 TSHR (0.37) TSHRALDH1A1KCNN4MAPTHDAC8
SCHEMBL21189690 0.78 TSHR (0.36) TSHRALDH1A1KCNN4
SCHEMBL22991339 0.78 TSHR (0.36) TSHRALDH1A1KCNN4
SCHEMBL15105375 0.76 ALDH1A1 (0.45) TSHRALDH1A1KCNN4MAPTCRHBP
SCHEMBL3899036 0.76 TSHR (0.44) TSHRALDH1A1KCNN4MAPTHDAC8
SCHEMBL21189651 0.76 ESR1 (0.45) TSHRALDH1A1KCNN4MAPTCRHBP
SCHEMBL28565820 0.75 KCNN4 (0.45) TSHRALDH1A1KCNN4MAPK1CYP1A2
SCHEMBL22991335 0.75 TSHR (0.37) TSHRALDH1A1KCNN4MAPTHDAC8
SCHEMBL21189641 0.72 KIF11 (0.35) TSHRALDH1A1KIF11
SCHEMBL6555560 0.72 KCNN4 (0.36) TSHRALDH1A1KCNN4KIF11TAAR1

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