SCHEMBL19680558

SCHEMBL19680558

CCCCCNC(=N)NCCCC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.56
CASP2 P42575 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
NAAA Q02083 1/20 0.43
SPHK1 Q9NYA1 3/20 0.42
ACHE P22303 1/20 0.41
MMP2 P08253 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL6925660 0.97 EPHX1 (0.60) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL5467666 0.97 EPHX1 (0.60) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL28415462 0.97 EPHX1 (0.60) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL6923826 0.97 EPHX1 (0.60) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL88539 0.97 EPHX1 (0.54) EPHX1CASP2ALDH1A1TSHRZDHHC20
Hydrochloric Acid SCHEMBL7761905 0.95 EPHX1 (0.58) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL7760005 0.95 EPHX1 (0.58) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL5461675 0.95 EPHX1 (0.58) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL10620107 0.95 EPHX1 (0.52) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL10960588 0.95 EPHX1 (0.58) EPHX1CASP2ALDH1A1TSHRZDHHC20

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
WO-2017210668-A1 SUSTAINED RELEASE COMPOSITIONS OF KAPPA-OPIOID RECEPTOR AGONIST JT PHARMACEUTICALS, INC. (US) 2017-12-07 WO disclosed