SCHEMBL18560409

SCHEMBL18560409

CCCCCCNC(C)=N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.56
CASP2 P42575 1/20 0.50
FAAH O00519 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
NAAA Q02083 1/20 0.47
SPHK1 Q9NYA1 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
SCHEMBL12993988 1.00 EPHX1 (0.56) EPHX1CASP2FAAHZDHHC20ZDHHC2
SCHEMBL18621827 1.00 EPHX1 (0.56) EPHX1CASP2FAAHZDHHC20ZDHHC2
SCHEMBL4555309 0.97
Bicarbonate SCHEMBL29287941 0.91 EPHX1 (0.59) EPHX1CASP2FAAHZDHHC20ZDHHC2
SCHEMBL4075630 0.90
SCHEMBL20542909 0.84 CASP2 (0.67) EPHX1CASP2FAAHNAAA
Hydrochloric Acid SCHEMBL20542798 0.83 CASP2 (0.65) EPHX1CASP2FAAHNAAA
SCHEMBL18751932 0.82 EPHX1 (0.48) EPHX1CASP2FAAHZDHHC20ZDHHC2
SCHEMBL18751935 0.82 EPHX1 (0.48) EPHX1CASP2FAAHZDHHC20ZDHHC2
SCHEMBL18751934 0.82 EPHX1 (0.48) EPHX1CASP2FAAHZDHHC20ZDHHC2

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
EP-2938596-B1 METHODS FOR PURIFICATION OF SERINE PROTEASES PORTOLA PHARM INC (US) 2017-11-01 EP disclosed
EP-2416804-B1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY FAULSTICH HEINZ DR (DE) 2017-03-01 EP disclosed