SCHEMBL11753169

SCHEMBL11753169

CC(CO)(Oc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.40
▸ LTA4H P09960 4/20 0.40
▸ SLC6A4 P31645 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SRD5A2 P31213 1/20 0.37
▸ MCL1 Q07820 2/20 0.37
▸ PPARA Q07869 2/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ BAX Q07812 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35

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
SCHEMBL11754896 0.95 MEN1 (0.38) PPARGSLC6A4MAPTSLC6A2SLC6A3
SCHEMBL11746557 0.91 ALDH1A1 (0.42) PPARGSLC6A4MAPTSLC6A3MCL1
SCHEMBL11752082 0.86 PPARA (0.47) PPARGLTA4HSLC6A4MAPTSLC6A2
SCHEMBL11757005 0.86 PPARG (0.40) PPARGLTA4HSLC6A4PPARAPDK1
SCHEMBL11753227 0.84 PPARG (0.50) PPARGLTA4HSLC6A2SLC6A3PPARA
SCHEMBL11752410 0.82 PPARG (0.43) PPARGMAPTSMN1; SMN2PPARA
SCHEMBL11750435 0.81 PPARA (0.50) PPARGMAPTSMN1; SMN2PPARAMEN1
SCHEMBL11752678 0.81 PPARA (0.38) PPARGSLC6A4SLC6A3SMN1; SMN2PPARA
SCHEMBL11750313 0.80 SMN1; SMN2 (0.41) PPARGSMN1; SMN2SRD5A2MCL1PPARA
SCHEMBL11747760 0.77 PPARA (0.47) PPARGMAPTSMN1; SMN2PPARAMEN1

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