SCHEMBL28756830

SCHEMBL28756830

CCCCCNC(C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.47
EPHX1 P07099 8/20 0.47
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
BIRC2 Q13490 2/20 0.45
TSHR P16473 1/20 0.42
FURIN P09958 1/20 0.41
CA14 Q9ULX7 2/20 0.41
FAAH O00519 1/20 0.41
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL4081144 1.00 ZDHHC7 (0.47) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL30446888 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL28480851 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL7366969 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL11654823 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL23211686 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL6702851 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL28357307 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
SCHEMBL29268681 0.98 EPHX1 (0.50) ZDHHC7EPHX1CA2CA1BIRC2
Hydrochloric Acid SCHEMBL10958870 0.96 ZDHHC7 (0.49) ZDHHC7EPHX1CA2CA1BIRC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101186944-B Biological resolution method for amino acid UNIV HEBEI SCIENCE & TECH 2011-09-28 CN disclosed
CN-101186944-A Biological resolution method for amino acid HEBEI TECHNOLOGY UNIVERSITY (CN) 2008-05-28 CN disclosed
CN-1832920-A Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA INC (US) 2006-09-13 CN disclosed
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN disclosed