SCHEMBL9225108

SCHEMBL9225108

COc1ccc([C](c2ccc(OC)cc2)c2ccc(OC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ FABP5 Q01469 3/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ FABP7 O15540 2/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39

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
SCHEMBL9225114 0.86 FABP5 (0.44) GAAFABP5KMT2ANPC1FABP7
SCHEMBL14099780 0.86 CYP1A2 (0.47) GAAFABP5KMT2ANPC1FABP7
SCHEMBL14590853 0.84 FABP5 (0.47) FABP5KMT2AFABP7HTTEPHX2
SCHEMBL27143076 0.82 FABP5 (0.52) FABP5KMT2AFABP7EPHX2
SCHEMBL9220926 0.82 EPHX2 (0.56) GAAKMT2ANPC1MDM2ALDH1A1
SCHEMBL9355666 0.80 KMT2A (0.43) FABP5KMT2AFABP7EPHX2
SCHEMBL9647974 0.80 KMT2A (0.43) FABP5KMT2AFABP7MDM2EPHX2
SCHEMBL4293800 0.78 FABP5 (0.48) FABP5KMT2AFABP7EPHX2
SCHEMBL5337013 0.78 ALDH1A1 (0.46) GAAFABP5KMT2AFABP7MDM2
SCHEMBL60475 0.77 FABP5 (0.45) GAAFABP5KMT2AFABP7MDM2

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-5410068-A Protecting groups for natural products PERSEPTIVE BIOSYSTEMS, INC. (US) 1995-04-25 — — US disclosed
EP-0424819-B1 Reversible modification of biological compounds for detection, separation and purification thereof MILLIPORE CORP (US) 1994-12-28 — — EP disclosed
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