SCHEMBL28112699

SCHEMBL28112699

Cc1cc2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C)cc1[CH]2.Cl[Hf]Cl

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15949863 0.92 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19ALDH1A1CA2
SCHEMBL28240475 0.90 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1CA2
SCHEMBL21382577 0.88 CYP1A2 (0.31) CYP1A2CYP2C9CYP2C19ALDH1A1CA2
SCHEMBL28112706 0.78
SCHEMBL16411257 0.78 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1CA2
SCHEMBL27630915 0.74 ALDH1A1 (0.33) CYP1A2ALDH1A1CA2POLBTYR
SCHEMBL28113295 0.73 MEN1 (0.33)
SCHEMBL21500716 0.69 CYP2C9 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1CA2
SCHEMBL20994412 0.68 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL16411547 0.68 GABRA1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2

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
CN-106068291-B Olefin-based resin, its manufacturing method and propylene resin composition 三井化学株式会社 2019-03-12 CN disclosed
CN-109196039-A Composition for thermoplastic elastomer, its manufacturing method and formed body 三井化学株式会社 2019-01-11 CN disclosed
CN-106068291-A Olefin-based resin, its manufacture method and propylene resin composition 三井化学株式会社 2016-11-02 CN disclosed