SCHEMBL21755768

SCHEMBL21755768

CC(C)(C)CCC(C)(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
RIPK1 Q13546 2/20 0.43
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
KCNN4 O15554 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
KIF11 P52732 1/20 0.37
SHBG P04278 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
SCHEMBL3368788 0.92 TAAR1 (0.64) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL30018333 0.86 TAAR1 (0.52) TAAR1RIPK1MAPK1CYP2C19HIF1A
SCHEMBL27946554 0.80 TAAR1 (0.56) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL398002 0.80 TAAR1 (0.56) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL575234 0.80 TAAR1 (0.56) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL19441058 0.79 TAAR1 (0.50) TAAR1MAPK1ALDH1A1KCNN4ESR1
SCHEMBL19670976 0.79 TAAR1 (0.50) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL5147319 0.78 TAAR1 (0.67) TAAR1CYP2C19KCNN4CYP3A4KIF11
SCHEMBL9819770 0.78 TAAR1 (0.54) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL20788831 0.78 TAAR1 (0.54) TAAR1MAPK1CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP disclosed
WO-2020138147-A1 COMPOUND, RESIN, COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR FORMING CIRCUIT PATTERN AND PURIFICATION METHOD 三菱瓦斯化学株式会社 2020-07-02 WO disclosed
WO-2020040161-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed
WO-2020040162-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed