SCHEMBL30438452

SCHEMBL30438452

Cc1ccc(C(C)(C)C)c(O)c1CCCCCCc1c(C)ccc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
CA2 P00918 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 4/20 0.40
HIF1A Q16665 4/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 6/20 0.38
TYR P14679 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.35
ALOX15 P16050 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSPA5 P11021 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL8989595 1.00 GABRA1 (0.47) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL29836467 0.98 GABRA1 (0.48) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL30402247 0.98 GABRA1 (0.48) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL2165152 0.92 GABRA1 (0.50) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL29650379 0.84 CYP2C19 (0.50) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL753473 0.84 CYP2C19 (0.50) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL23941079 0.82 GABRA1 (0.48) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL10245825 0.82 GABRA1 (0.48) GABRA1GABRB2CA2SMN1; SMN2CYP2C9
SCHEMBL28411368 0.81 TYR (0.45) GABRA1GABRB2CA2HIF1ATP53
SCHEMBL15450309 0.81 GABRA1 (0.47) GABRA1GABRB2CA2SMN1; SMN2CYP2C9

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-113820920-B Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2023-07-04 CN disclosed