SCHEMBL11750313

SCHEMBL11750313

CC(=O)OCC(C)(Oc1ccc(Oc2ccc(Br)cc2)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARG P37231 3/20 0.40
▸ SRD5A2 P31213 1/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ PPARA Q07869 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP13 P45452 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 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
SCHEMBL11752749 0.96 ALDH1A1 (0.39) SMN1; SMN2PPARGPPARAMEN1KMT2A
SCHEMBL11750958 0.92 PPARA (0.38) SMN1; SMN2PPARGMCL1PPARAMEN1
SCHEMBL11747997 0.88 PPARA (0.47) PPARGPPARAMEN1KMT2ALMNA
SCHEMBL11749695 0.88 PPARG (0.41) PPARGPPARAFNTAFNTBMMP2
SCHEMBL11753421 0.87 MAOB (0.52) SMN1; SMN2PPARGPPARAALDH1A1PPARD
SCHEMBL11745178 0.85 MAPT (0.43) SMN1; SMN2PPARGPPARAALDH1A1PPARD
SCHEMBL11753871 0.84 PPARA (0.50) SMN1; SMN2PPARGPPARAMEN1KMT2A
SCHEMBL11751579 0.84 KCNN4 (0.39) PPARGPPARAALDH1A1LMNAL3MBTL1
SCHEMBL11749185 0.81 PPARA (0.38) PPARGPPARAALDH1A1MMP2MMP13
SCHEMBL11750749 0.81 PPARA (0.47) PPARGPPARAMEN1KMT2ALMNA

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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