SCHEMBL11750068

SCHEMBL11750068

CC(C)(CO)Oc1ccc(COc2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.55
▸ APP P05067 1/20 0.54
▸ NR4A2 P43354 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.51
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MAOA P21397 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PTPRZ1 P23471 1/20 0.45

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
SCHEMBL16585297 0.87 PPARA (0.38) MAOBPPARG
SCHEMBL22967381 0.86 MAOB (0.56) MAOBAPPNR4A2PARP10CA12
SCHEMBL11749176 0.84 MAOB (0.55) MAOBAPPNR4A2MAOANPC1
SCHEMBL11753637 0.84 MAOB (0.55) MAOBAPPCA12CA1CA2
SCHEMBL22967380 0.83 MAOB (0.61) MAOBAPPNR4A2PARP10CA12
SCHEMBL11751274 0.80 MAOB (0.58) MAOBAPPNR4A2PARP10CA12
SCHEMBL11755471 0.80 PPARG (0.49) MAOBAPPNR4A2PARP10PPARG
SCHEMBL27550091 0.79 MAOB (0.80) MAOBAPPNR4A2PARP10CA12
SCHEMBL11733799 0.79 PPARG (0.72) MAOBNR4A2PARP10PPARG
SCHEMBL713596 0.78 MAOB (0.67) MAOBAPPNR4A2PARP10CA12

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-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US claimed
US-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
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