SCHEMBL29629090

SCHEMBL29629090

COc1ccccc1-c1cccc(-c2cc(C)cc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2E1 P05181 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP4B1 P13584 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP3A5 P20815 2/20 0.50
CYP2A7 P20853 2/20 0.50
CYP3A7 P24462 2/20 0.50
CYP2F1 P24903 2/20 0.50
CYP2C18 P33260 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2J2 P51589 2/20 0.50

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
SCHEMBL20022114 0.91 ALDH1A1 (0.58) HTR7ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL20022116 0.91 ALDH1A1 (0.58) HTR7ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL20022118 0.90 ALDH1A1 (0.57) HTR7ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL5541170 0.87 TP53 (0.61) HTR7ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL29629017 0.87 HTR7 (0.64) HTR7ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL26556078 0.87 HTR7 (0.64) HTR7ALDH1A1CYP1A1CYP1A2CYP2E1
SCHEMBL29628910 0.86 PTPRC (0.53) HTR7ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL21102048 0.86 PTPRC (0.53) HTR7ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL28043787 0.80 HTR7 (0.51) HTR7ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL28102075 0.80 HTR7 (0.51) HTR7ALDH1A1HPGDCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621045-A Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde 长沙资材科技有限公司 2022-06-14 CN disclosed