SCHEMBL9403216

SCHEMBL9403216

CCCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRB2 P47870 1/20 0.36
RORC P51449 1/20 0.36
GSR P00390 1/20 0.35
GAA P10253 1/20 0.35
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35

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
SCHEMBL9403096 1.00 CNR1 (0.38) CNR1CNR2GPR84CA1CA2
SCHEMBL9403080 1.00 CNR1 (0.38) CNR1CNR2GPR84CA1CA2
SCHEMBL9403220 1.00 CNR1 (0.38) CNR1CNR2GPR84CA1CA2
SCHEMBL199819 0.95 GPR84 (0.40) CNR1CNR2GPR84CYP1A2CYP3A4
SCHEMBL9403094 0.91 RORC (0.45) CNR1CNR2GPR84CYP1A2CYP3A4
SCHEMBL9403234 0.91 RORC (0.45) CNR1CNR2GPR84CYP1A2CYP3A4
SCHEMBL9403225 0.91 RORC (0.45) CNR1CNR2GPR84CYP1A2CYP3A4
SCHEMBL9403222 0.91 RORC (0.45) CNR1CNR2GPR84CYP1A2CYP3A4
SCHEMBL202608 0.89 CYP2C19 (0.41) GPR84CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8618850 0.88 GPR84 (0.38) CNR1CNR2GPR84CYP1A2CYP3A4

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-5356976-A Stabilize organic materials against degradation by oxidation, heat or actinic light CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
EP-0579576-A1 2,4-Dialkyl-6-sec-alkylphenols CIBA-GEIGY AG (CH) 1994-01-19 EP disclosed