SCHEMBL7943072

SCHEMBL7943072

CC(C)(C)c1cc(C(C)(C)C)c(C(O)C(O)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX15 P16050 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
HSP90AA1 P07900 1/20 0.37
CA2 P00918 2/20 0.36
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CA1 P00915 1/20 0.36
TYR P14679 3/20 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
SCHEMBL7941412 0.89 POLB (0.40) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL7942358 0.81 ALDH1A1 (0.56) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL29159684 0.76 CYP1A2 (0.38) ALDH1A1CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL7058143 0.74 NR5A2 (0.39) ALOX15CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL7941421 0.73 CA2 (0.54) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL9879682 0.73 POLB (0.41) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL7943128 0.73 ALDH1A1 (0.45) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL35141 0.72 CA2 (0.67) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL3614754 0.71 ALDH1A1 (0.40) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15
SCHEMBL39338 0.71 POLB (0.36) GABRA1GABRB2ALDH1A1SMN1; SMN2ALOX15

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
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed