Sugi Predict

Sugi Predict / Compounds / SCHEMBL11239253

SCHEMBL11239253

SCHEMBL11239253

CCCC1COC(CCc2ccc(C(C)C)cc2)(Cn2ccnc2)O1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 2/20 0.62
▸ CYP17A1 P05093 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP19A1 P11511 1/20 0.59
▸ CYP11B1 P15538 1/20 0.59

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
SCHEMBL11236416 0.94 HMOX1 (0.60) HMOX1CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL11235473 0.93 HMOX1 (0.65) HMOX1CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL11242373 0.91 HMOX1 (0.74) HMOX1
SCHEMBL11235719 0.89 HMOX1 (0.63) HMOX1CYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL11229040 0.89 HMOX1 (0.62) HMOX1
SCHEMBL11237514 0.88 HMOX1 (0.61) HMOX1
SCHEMBL11243687 0.88 HMOX1 (0.60) HMOX1
SCHEMBL11235115 0.86 HMOX1 (0.59) HMOX1
SCHEMBL11238358 0.86 HMOX1 (0.59) HMOX1
SCHEMBL11246298 0.86 HMOX1 (0.66) HMOX1

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
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 — — EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 — — US disclosed