SCHEMBL9744376

SCHEMBL9744376

CCCCCOC(CC)CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
TLR2 O60603 3/20 0.41
LPAR1 Q92633 4/20 0.41
LPAR3 Q9UBY5 4/20 0.41
NAAA Q02083 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR6 P43657 2/20 0.38
LPAR4 Q99677 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EPHX1 P07099 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL6156343 0.93 DNM1 (0.46) DNM1TLR2LPAR1LPAR3NAAA
SCHEMBL18571158 0.87 ALDH1A1 (0.39) DNM1TLR2LPAR1LPAR3NAAA
SCHEMBL6156010 0.86 CYP1A2 (0.44) DNM1TLR2
SCHEMBL6156013 0.86 CYP1A2 (0.44) DNM1TLR2
SCHEMBL9745575 0.86 NAAA (0.53) DNM1LPAR1LPAR3NAAAEPHX1
SCHEMBL9743211 0.84 NAAA (0.47) DNM1TLR2LPAR1LPAR3NAAA
SCHEMBL9744401 0.84 NAAA (0.52) DNM1LPAR1LPAR3NAAAALDH1A1
SCHEMBL9743443 0.84 NAAA (0.43) DNM1TLR2LPAR1LPAR3NAAA
SCHEMBL12990056 0.83 ZDHHC7 (0.45) DNM1TLR2CNR1CNR2FAAH
SCHEMBL9743675 0.83 NAAA (0.46) DNM1TLR2LPAR1LPAR3NAAA

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-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed
EP-0384189-A2 Optically active compound and a process for the production thereof CHISSO CORPORATION (JP) 1990-08-29 EP disclosed