SCHEMBL7218648

SCHEMBL7218648

COc1ccc(-c2ccc(O)cc2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
CYP1A1 P04798 3/20 0.62
CYP1B1 Q16678 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2E1 P05181 2/20 0.62
CYP2C8 P10632 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2A6 P11509 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP4B1 P13584 2/20 0.62
CYP2B6 P20813 2/20 0.62
CYP3A5 P20815 2/20 0.62
CYP2A7 P20853 2/20 0.62
CYP3A7 P24462 2/20 0.62
CYP2F1 P24903 2/20 0.62
CYP2C18 P33260 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2J2 P51589 2/20 0.62
CYP4F2 P78329 2/20 0.62
CYP4F8 P98187 2/20 0.62

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
SCHEMBL17599105 0.88 CYP1A1 (0.71) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL9446140 0.86 ESR2 (0.73) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL7622171 0.86 ESR2 (0.65) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL27700749 0.85 ESR2 (0.59) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL3810477 0.85 ESR2 (0.71) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL15014170 0.84 APP (0.67) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL1047261 0.83 CYP1A1 (0.65) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL22074277 0.82 CYP1A1 (0.64) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL18311339 0.82 GAA (0.56) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL6275646 0.82 CYP1A1 (0.59) CYP3A4CYP1A1CYP1B1CYP1A2CYP2E1

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
US-6624197-B1 Styrene administered orally to decrease blood glucose levels in rats. The glucose tolerance in insulin resistant rats is also shown, as well as lowering of triglyceride levels in serum insulin resistant, hyperinsulinemic and CALYX THERAPEUTICS, INC. 2003-09-23 US claimed
CN-111748370-B Thermal modification method for heavy oil by aid of aid 中国石油天然气股份有限公司 2022-08-05 CN disclosed