SCHEMBL14099780

SCHEMBL14099780

CC(=O)c1ccc(OC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 4/20 0.44
▸ FABP5 Q01469 3/20 0.43
▸ FABP7 O15540 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL14590853 0.88 FABP5 (0.47) KMT2AFABP5FABP7EPHX2
SCHEMBL9225108 0.86 GAA (0.49) KMT2AFABP5FABP7RAB9ANPC1
SCHEMBL27143076 0.86 FABP5 (0.52) KMT2AFABP5FABP7EPHX2
SCHEMBL9355666 0.83 KMT2A (0.43) KMT2AFABP5FABP7EPHX2MAPT
SCHEMBL9647974 0.83 KMT2A (0.43) KMT2AFABP5FABP7EPHX2
SCHEMBL4293800 0.81 FABP5 (0.48) KMT2AFABP5FABP7EPHX2
SCHEMBL9225114 0.80 FABP5 (0.44) KMT2AFABP5FABP7RAB9ANPC1
SCHEMBL44676 0.79 KMT2A (0.58) KMT2AFABP5FABP7EPHX2
SCHEMBL30833078 0.77 EPHX2 (0.62) KMT2AFABP5FABP7RAB9ANPC1
Methylsulfanylmethane SCHEMBL8351795 0.77 FABP5 (0.39) KMT2AFABP5FABP7EPHX2

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
EP-1199566-B1 Methods of screening affinity marker libraries CONJUCHEM BIOTECHNOLOGIES INC (CA) 2008-08-27 — — EP disclosed
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