SCHEMBL25865913

SCHEMBL25865913

CC(C)CCC(C)(C)c1cc(CC(C)(C)C)c(O)c(CC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
IDH1 O75874 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL25865908 0.81
SCHEMBL10953186 0.76 CA2 (0.45) ALOX15CYP2C19MAPK1HTTALDH1A1
SCHEMBL25865910 0.74 CNR1 (0.33) CNR1CNR2
SCHEMBL5571045 0.71 CYP2C19 (0.41) ALOX15CYP2C19MAPK1HTTIDH1
SCHEMBL3286347 0.71 CYP1A2 (0.38) ALOX15CYP2C19MAPK1HTTCYP2C9
SCHEMBL14702172 0.70 CYP2C19 (0.50) ALOX15CYP2C19MAPK1HTTIDH1
SCHEMBL10882031 0.70 GABRA1 (0.35) ALOX15CYP2C19MAPK1HTTCYP2C9
SCHEMBL25865911 0.69 SHBG (0.53) ALDH1A1CYP3A4HSD17B10
SCHEMBL3694612 0.68 CNR2 (0.42) GABRA1GABRB2CNR1CNR2
SCHEMBL5865868 0.68 ESR1 (0.48) ALOX15CYP2C19MAPK1HTTALDH1A1

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-20230183583-A1 2-ISO-ALKYL-2-(4-HYDROXYPHENYL)PROPANE DERIVATIVES USED AS EMULSION BREAKERS FOR CRUDE OIL SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US disclosed