SCHEMBL30562265

SCHEMBL30562265

Oc1ccccc1Cc1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.72
▸ KEAP1 Q14145 1/20 0.60
▸ HSPA5 P11021 1/20 0.56
▸ TBXA2R P21731 1/20 0.53
▸ PTGER4 P35408 1/20 0.53
▸ PTGFR P43088 1/20 0.53
▸ PTGER3 P43115 1/20 0.53
▸ PTGER2 P43116 1/20 0.53
▸ PTGDR Q13258 1/20 0.53
▸ SOX18 P35713 1/20 0.53
▸ CETP P11597 1/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ SLC6A2 P23975 3/20 0.48
▸ SLC6A4 P31645 3/20 0.48
▸ SLC6A3 Q01959 3/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ CTRC Q99895 1/20 0.47

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
SCHEMBL1527812 1.00 ALOX5 (0.72) ALOX5KEAP1HSPA5TBXA2RPTGER4
SCHEMBL27870176 0.94 ALOX5 (0.65) ALOX5KEAP1HSPA5TBXA2RPTGER4
SCHEMBL9188555 0.84 ALOX5 (0.76) ALOX5KEAP1TBXA2RPTGER4PTGFR
SCHEMBL27589015 0.81 ALOX5 (0.58) ALOX5KEAP1TBXA2RPTGER4PTGFR
SCHEMBL9776607 0.81 KEAP1 (0.86) ALOX5KEAP1HSPA5CYP2D6CYP3A4
SCHEMBL30616875 0.81 KEAP1 (0.86) ALOX5KEAP1HSPA5CYP2D6CYP3A4
SCHEMBL16113740 0.80 SOX18 (0.56) ALOX5SOX18CYP1A2CYP2A6CYP2D6
SCHEMBL8702966 0.80 SOX18 (0.56) ALOX5SOX18CYP1A2CYP2A6CYP2D6
SCHEMBL28651474 0.80 MAPT (0.64) ALOX5KEAP1HSPA5CYP3A4
SCHEMBL14708688 0.80 HSPA5 (0.67) ALOX5KEAP1HSPA5CYP2D6CYP3A4

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-118786109-A Novel 1, 3-bis (1-methyl-1-phenylethyl) benzene compound 本州化学工业株式会社 2024-10-15 — — CN disclosed
WO-2023195504-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME 三菱瓦斯化学株式会社 2023-10-12 — — WO disclosed
WO-2023176736-A1 NOVEL 1,3-BIS(1-METHYL-1-PHENYLETHYL)BENZENE COMPOUND 本州化学工業株式会社 2023-09-21 — — WO disclosed
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