SCHEMBL7941412

SCHEMBL7941412

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1C(O)C(O)c1c(C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CA2 P00918 2/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ATP2A2 P16615 1/20 0.34
ATP2A3 Q93084 1/20 0.34
HSP90AA1 P07900 1/20 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
SCHEMBL7943072 0.89 GABRA1 (0.42) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL9879682 0.81 POLB (0.41) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL246694 0.79 POLB (0.40) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL39338 0.79 POLB (0.36) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL7942358 0.76 ALDH1A1 (0.56) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL39016 0.74 CYP2C9 (0.37) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL29421158 0.74 CYP1A2 (0.34) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL39337 0.74 CYP1A2 (0.34) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL1859062 0.73 CYP1A2 (0.33) POLBGABRA1GABRB2CYP1A2CYP2C9
SCHEMBL76615 0.73 POLB (0.35) POLBCYP1A2CYP2C9CYP2C19HTR1D

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