SCHEMBL9403071

SCHEMBL9403071

CCCCCCCCCCC(C)c1cc(C(C)(C)c2ccccc2)cc(C(C)CC)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.49
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CSNK1E P49674 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MMP2 P08253 2/20 0.33

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
SCHEMBL9403139 1.00 RORC (0.49) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL9403113 1.00 RORC (0.49) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL9403082 1.00 RORC (0.49) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL9403088 0.93 RORC (0.40) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL9403233 0.93 RORC (0.40) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL9403109 0.93 RORC (0.40) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL9403144 0.93 RORC (0.40) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL8621515 0.90 RORC (0.40) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL8619588 0.90 RORC (0.40) RORCTSHRCYP3A4CYP1A2CYP2C9
SCHEMBL8619072 0.90 RORC (0.40) RORCTSHRCYP3A4CYP1A2CYP2C9

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