Sugi Predict

Sugi Predict / Compounds / SCHEMBL9328904

SCHEMBL9328904

SCHEMBL9328904

CCCCCC(C)(C)c1cc(COC)cc(C(C)(C)CCCCC)c1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.40
▸ CNR1 P21554 13/20 0.39
▸ CNR2 P34972 13/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL9196467 0.91 CNR2 (0.38) PTGS2CNR1CNR2
SCHEMBL11205488 0.89 ALDH1A1 (0.36) PTGS2CYP3A4
SCHEMBL9155526 0.83 CNR1 (0.43) PTGS2CNR1CNR2CYP3A4
SCHEMBL11025171 0.82 CNR1 (0.40) CNR1CNR2CYP3A4
SCHEMBL2338151 0.82 PTGS2 (0.43) PTGS2CNR1CNR2CYP3A4
SCHEMBL10885993 0.82 CNR1 (0.45) PTGS2CNR1CNR2CYP3A4
SCHEMBL2069687 0.82 ALDH1A1 (0.38) CYP3A4
SCHEMBL19466458 0.81 CNR1 (0.36) PTGS2CNR1CNR2
SCHEMBL11405013 0.81 CNR1 (0.39) PTGS2CNR1CNR2CYP3A4
SCHEMBL5412249 0.81 CNR1 (0.39) PTGS2CNR1CNR2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363801-B1 Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics ETHYL CORP (US) 1994-03-16 — — EP disclosed
EP-0363801-A2 Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics ETHYL CORPORATION (US) 1990-04-18 — — EP disclosed
US-4898994-A Process for making 3,5-dialkyl-4-hydroxybenzyl-substituted aromatics ETHYL CORPORATION (US) 1990-02-06 — — US disclosed