SCHEMBL8623249

SCHEMBL8623249

Nc1ccc(OCC(=O)OC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NFE2L2 Q16236 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 2/20 0.46
GLA P06280 1/20 0.44
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
STS P08842 3/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL24845122 0.86 RAB9A (0.53) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28261177 0.85 ALDH1A1 (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL24845608 0.85 RAB9A (0.52) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6655190 0.84 ALDH1A1 (0.68) RAB9AMAPTSMN1; SMN2ALDH1A1CYP19A1
SCHEMBL11649715 0.83 ALDH1A1 (0.69) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13757728 0.81 SMN1; SMN2 (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL6774389 0.81 RAB9A (0.49) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8621723 0.80 PTGS2 (0.52) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL26834384 0.80 ALDH1A1 (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13012721 0.79 ALDH1A1 (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1CYP1A2

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-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed