SCHEMBL9434817

SCHEMBL9434817

CCCCCNC(C)=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
EPHX2 P34913 6/20 0.47
NAAA Q02083 2/20 0.47
CASP2 P42575 1/20 0.47
FAAH O00519 1/20 0.44
PLA2G2A P14555 1/20 0.43

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
SCHEMBL9434483 0.98 EPHX1 (0.55) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL9433605 0.98 EPHX1 (0.55) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL5701154 0.98 EPHX1 (0.55) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL9434500 0.98 EPHX1 (0.55) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL9433763 0.98 EPHX1 (0.55) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL5701151 0.98 EPHX1 (0.55) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL12490812 0.94 EPHX1 (0.47) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL9179050 0.94 EPHX1 (0.47) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL19066280 0.86 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2EPHX2NAAA
SCHEMBL19066279 0.86 EPHX1 (0.54) EPHX1ZDHHC20ZDHHC2EPHX2NAAA

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
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed
US-4874773-A HYPOTENSIVE AGENTS, VASODILATORS NIPPON SHOJI KABUSHIKI KAISHA (JP) 1989-10-17 US disclosed
EP-0220653-A2 3-Aminocarbonyl-1,4-dihydropyridine-5-carboxylic acid compounds, process for preparation and use thereof, and pharmaceutical composition containing the same Nippon Shoji Kabushiki Kaisha (JP) 1987-05-06 EP disclosed