SCHEMBL23710539

SCHEMBL23710539

C=C(CCCCCC)NCCNC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.48
NAAA Q02083 1/20 0.40
FAAH O00519 5/20 0.39
CASP2 P42575 1/20 0.38
PLA2G2A P14555 1/20 0.37
DNM1 Q05193 1/20 0.37
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
LPAR1 Q92633 1/20 0.36
HSP90AA1 P07900 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL22295960 0.90 EPHX1 (0.52) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL19936681 0.86 FAAH (0.41) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL20903683 0.85 EPHX1 (0.52) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL21527587 0.85 EPHX1 (0.52) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL22447142 0.85 EPHX1 (0.50) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL24041036 0.85 EPHX1 (0.52) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL24133449 0.85 EPHX1 (0.48) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL24133456 0.85 EPHX1 (0.48) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL21076334 0.85 EPHX1 (0.50) EPHX1NAAAFAAHCASP2PLA2G2A
SCHEMBL19336122 0.85 EPHX1 (0.50) EPHX1NAAAFAAHCASP2PLA2G2A

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
EP-3858385-A2 POLYMER-CONJUGATED METAP2 INHIBITORS, AND THERAPEUTIC METHODS OF USE THEREOF Syndevrx, Inc. (US) 2021-08-04 EP disclosed