SCHEMBL9602136

SCHEMBL9602136

C=Cc1ccccc1CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.30
SLC6A2 P23975 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL27966833 0.84 SLC6A2 (0.45) RIPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5034591 0.82 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11316052 0.81 TAAR1 (0.42) RIPK1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5130782 0.80 RIPK1 (0.39) RIPK1ALDH1A1
SCHEMBL4088533 0.79 LMNA (0.48) RIPK1ALDH1A1GAATHRBCYP2C9
SCHEMBL7792761 0.79 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL14999525 0.78 RIPK1 (0.37) RIPK1ALDH1A1GAA
SCHEMBL8527659 0.77 FDPS (0.38) ALDH1A1GAAPKMCYP3A4CYP2C9
SCHEMBL6685097 0.77 RIPK1 (0.56) RIPK1ESR1SLC6A2TAAR1
Tert-Butylamine SCHEMBL11031124 0.76 GABRA1 (0.39) RIPK1ALDH1A1GAACYP2C19SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218282-A The preparation method of high solid content polymer polyol with low viscosity 锦湖石油化学株式会社 2019-09-10 CN claimed
CN-110366577-A Resin combination and formed body and its manufacturing method 日本瑞翁株式会社 2019-10-22 CN disclosed
CN-109563276-A crosslinked rubber 日本瑞翁株式会社 2019-04-02 CN disclosed
EP-0223858-B1 POLYMER COMPOSITION AND USE THEREOF MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-02-03 EP disclosed
US-4762878-A HYDROGENATED BLOCK COPOLYMER OF VINYL AROMATIC AND CONJUGATED DIENE, ISOPROPENYLTOLUENE POLYMER, ALPHA-OLEFIN POLYMER AND SQUALANE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-08-09 US disclosed
EP-0223858-A1 POLYMER COMPOSITION AND USE THEREOF MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-06-03 EP disclosed
US-4426491-A UNSATURATED ANHYDRIDE, POLYOL, POLYAMINE OR AMINOALCOL, UNSATURATED COMPOUND UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed