SCHEMBL9370830

SCHEMBL9370830

O=C(CO)O[C@H]1CCCC[C@@H]1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 6/20 0.58
▸ FABP7 O15540 4/20 0.58
▸ FABP3 P05413 3/20 0.58
▸ SLC18A3 Q16572 4/20 0.45
▸ KCNQ3 O43525 2/20 0.43
▸ KCNQ2 O43526 2/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 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
SCHEMBL6858142 1.00 FABP5 (0.58) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL27688008 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL28635740 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL7433049 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL28644515 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL7433046 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL7433044 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL28635739 0.86 FABP5 (0.57) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL25369789 0.83 FABP5 (0.64) FABP5FABP7FABP3SLC18A3KCNQ3
SCHEMBL21825849 0.83 FABP5 (0.64) FABP5FABP7FABP3SLC18A3KCNQ3

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-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 — — US disclosed
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