SCHEMBL18936879

SCHEMBL18936879

COc1cc(OC)cc([PH+](C(C)(C)C)C(C)(C)C)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP4B1 P13584 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP2A7 P20853 1/20 0.38
CYP3A7 P24462 1/20 0.38
CYP2F1 P24903 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2J2 P51589 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4F8 P98187 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL29590398 0.83 METAP2 (0.35)
SCHEMBL29592297 0.83 LTA4H (0.38) CYP3A4ALDH1A1HSD17B10LMNANPSR1
SCHEMBL29591418 0.80 MEN1 (0.42) CYP2C9CYP2C19ALDH1A1LMNANPSR1
SCHEMBL700460 0.79 MAPK1 (0.33) MAPK1
SCHEMBL29590084 0.78 LMNA (0.30) LMNAMAPTTP53TSHR
SCHEMBL29590062 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29590018 0.77 RXRA (0.35) MAPK1
SCHEMBL29591297 0.77
SCHEMBL29590776 0.74 METAP2 (0.31)
SCHEMBL29592247 0.74 ALDH1A1 (0.35) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 EP disclosed