SCHEMBL29162188

SCHEMBL29162188

Cc1cc(C(C)(C)C)c(C(C)(C)C)c(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.47
CYP2C9 P11712 5/20 0.47
CYP1A2 P05177 3/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
CA2 P00918 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TYR P14679 2/20 0.46
POLB P06746 1/20 0.46
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
CA1 P00915 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALOX15 P16050 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
HIF1A Q16665 4/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL392804 0.83 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL27851718 0.83 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL30448978 0.83 SMN1; SMN2 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL2244019 0.83 CYP2C19 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL11504878 0.82 ALDH1A1 (0.50) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL392594 0.82 CYP2C9 (0.40) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL2294654 0.80 CYP2C19 (0.48) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL26119692 0.80 CYP2C9 (0.54) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL1476812 0.78 CYP2C19 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2
SCHEMBL31424079 0.78 CYP2C19 (0.52) CYP2C19CYP2C9CYP1A2SMN1; SMN2CA2

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-117305005-A Lubricating oil, preparation method and application thereof 国家能源集团宁夏煤业有限责任公司 2023-12-29 CN claimed
CN-117305005-A Lubricating oil, preparation method and application thereof 国家能源集团宁夏煤业有限责任公司 2023-12-29 CN disclosed