SCHEMBL11790650

SCHEMBL11790650

CCOC(=O)C(C)(C)Oc1ccc(C=CC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 11/20 0.67
▸ MAOA P21397 3/20 0.60
▸ FBP1 P09467 1/20 0.60
▸ MAPT P10636 3/20 0.58
▸ CYP3A4 P08684 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ CYP1B1 Q16678 3/20 0.52
▸ CYP1A1 P04798 2/20 0.52
▸ F3 P13726 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51

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
SCHEMBL11783249 0.92 MAOB (0.65) MAOBMAOAFBP1MAPTCYP3A4
SCHEMBL11785149 0.91 MAOB (0.66) MAOBMAOAFBP1MAPTCYP3A4
SCHEMBL11786129 0.91 ABCB11 (0.70) MAOBMAOAFBP1CYP3A4ABCB11
SCHEMBL11786214 0.91 MAOB (0.66) MAOBMAOAFBP1MAPTCYP3A4
SCHEMBL11532183 0.90 MAPT (0.64) MAOBMAOAFBP1MAPTCYP3A4
SCHEMBL11534737 0.90 MAPT (0.64) MAOBMAOAFBP1MAPTCYP3A4
SCHEMBL14491076 0.85 MAOB (0.66) MAOBMAOAMAPTCYP3A4PPARA
SCHEMBL14523081 0.85 MAOB (0.66) MAOBMAOAMAPTCYP3A4PPARA
SCHEMBL20024708 0.84 FBP1 (0.75) FBP1CYP3A4ABCB11CYP1A2TSHR
SCHEMBL11785569 0.83 FBP1 (0.67) MAOBFBP1CYP3A4ABCB11CYP1A2

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-3994955-A Substituted phenoxydialkylacetic acids and esters G. D. SEARLE & CO. (US) 1976-11-30 — — US disclosed
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