SCHEMBL29005805

SCHEMBL29005805

C=CC(=O)Oc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
GAA P10253 2/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
NR1H4 Q96RI1 2/20 0.37
VCAM1 P19320 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29602988 1.00 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19CA2CA1
SCHEMBL7168327 0.90 CA2 (0.53) CYP1A2CA2CA1SMN1; SMN2ALDH1A1
SCHEMBL27360836 0.85 THRB (0.43) CYP1A2CYP2C9CA2CA1ALDH1A1
SCHEMBL2612493 0.82 NR1H4 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL5706719 0.82 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19CA2CA1
SCHEMBL27944627 0.82 CA1 (0.45) CYP1A2CYP2C9CYP2C19CA2CA1
SCHEMBL11797744 0.81 CA1 (0.44) CYP1A2CA2CA1ALDH1A1GAA
SCHEMBL27745675 0.79 NR1H4 (0.57) CYP2C9ALDH1A1POLBTYRGAA
SCHEMBL9028293 0.79 CYP2C9 (0.52) CYP1A2CYP2C9CYP2C19CA2CA1
SCHEMBL11794635 0.79 CA1 (0.41) CYP1A2CA2CA1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116144065-A Preparation method of high-elasticity cushioning foaming material and sole 安踏(中国)有限公司 2023-05-23 CN claimed
CN-122011510-A Layered composite metal hydroxide and preparation method and application thereof 中国石油化工股份有限公司 2026-05-12 CN disclosed
CN-111635706-B PID-resistant packaging adhesive film for double-sided PREC battery and preparation method thereof 常州斯威克光伏新材料有限公司 2024-07-02 CN disclosed
CN-116144065-A Preparation method of high-elasticity cushioning foaming material and sole 安踏(中国)有限公司 2023-05-23 CN disclosed