SCHEMBL8518795

SCHEMBL8518795

CCc1c(Cc2c(C)cc(O)cc2C(C)(C)C)c(CC)c(Cc2c(C)cc(O)cc2C(C)(C)C)c(CC)c1Cc1c(C)cc(O)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.40
CYP2C19 P33261 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HIF1A Q16665 4/20 0.40
TP53 P04637 3/20 0.40
HSPA5 P11021 2/20 0.38
ALOX15 P16050 6/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TYR P14679 2/20 0.36
NR1I2 O75469 1/20 0.36
MIF P14174 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 4/20 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
SCHEMBL10891430 0.91 CYP2C9 (0.46) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL27861556 0.89 ALOX15 (0.43) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL27877808 0.81 ALDH1A1 (0.46) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL68860 0.79 CYP2C9 (0.48) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL27745048 0.77 HTT (0.43) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL131955 0.76 CYP2C9 (0.50) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL12620456 0.76 CYP2C19 (0.47) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL12671647 0.74 CYP3A4 (0.48) CYP2C9CYP2C19SMN1; SMN2HIF1AALOX15
SCHEMBL30640814 0.74 HTT (0.47) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53
SCHEMBL27286157 0.74 ALOX15 (0.43) CYP2C9CYP2C19SMN1; SMN2HIF1ATP53

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
US-RE36128-E STABILIZER FOR ORGANIC COMPOUNDS ALBEMARLE CORPORATION (US) 1999-03-02 US disclosed
EP-0280938-B1 Antioxidant aromatic fluorophosphites ETHYL CORP (US) 1994-06-15 EP disclosed
US-4912155-A Containing substituted aryl group ETHYL CORPORATION (US) 1990-03-27 US disclosed
EP-0280938-A1 Antioxidant aromatic fluorophosphites ALBEMARLE CORPORATION (US) 1988-09-07 EP disclosed