SCHEMBL13198700

SCHEMBL13198700

COc1ccc(COC(=O)[C@H]2C3CCC(C3)[C@H]2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 1/20 0.52
▸ FABP5 Q01469 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41

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
SCHEMBL14827598 0.82 FABP7 (0.50) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL14827601 0.80 FABP7 (0.53) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL14827600 0.80 FABP7 (0.53) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL6737457 0.79 FABP7 (0.52) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL10119920 0.79 FABP7 (0.52) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL6737480 0.78 FABP7 (0.51) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL6737702 0.78 FABP7 (0.51) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL10119916 0.78 FABP7 (0.51) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL13688299 0.78 FABP7 (0.51) FABP7FABP5ALDH1A1SMN1; SMN2HTT
SCHEMBL10119915 0.78 FABP7 (0.51) FABP7FABP5ALDH1A1SMN1; SMN2HTT

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-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 — — US disclosed
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