SCHEMBL18171393

SCHEMBL18171393

CCCCCCCCCCNC(C(N)=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 9/20 0.44
PLA2G2A P14555 1/20 0.42
PLA2G5 P39877 1/20 0.42
CASP2 P42575 1/20 0.40
RRM1 P23921 1/20 0.40
CNR1 P21554 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL27874766 1.00 SMN1; SMN2 (0.47) SMN1; SMN2EPHX1PLA2G2APLA2G5CASP2
SCHEMBL18171395 1.00 SMN1; SMN2 (0.47) SMN1; SMN2EPHX1PLA2G2APLA2G5CASP2
Hydrochloric Acid SCHEMBL7769028 0.98 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1PLA2G2APLA2G5CASP2
Hydrochloric Acid SCHEMBL7769081 0.98 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1PLA2G2APLA2G5CASP2
Hydrochloric Acid SCHEMBL7770689 0.98 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1PLA2G2APLA2G5CASP2
SCHEMBL28205644 0.98 SMN1; SMN2 (0.49) SMN1; SMN2EPHX1PLA2G2APLA2G5CASP2
Hydrochloric Acid SCHEMBL7773476 0.84 EPHX1 (0.41) SMN1; SMN2EPHX1CASP2RRM1DPP7
Hydrochloric Acid SCHEMBL7773478 0.84 EPHX1 (0.41) SMN1; SMN2EPHX1CASP2RRM1DPP7
SCHEMBL16852138 0.84 SMN1; SMN2 (0.37) SMN1; SMN2EPHX1PLA2G2APLA2G5CNR1
SCHEMBL9802172 0.84 EPHX1 (0.40) SMN1; SMN2EPHX1CASP2RRM1DPP7

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
WO-2016174599-A1 CAPSICUM COMPOSITIONS AND USES THEREOF OMNIACTIVE HEALTH TECHNOLOGIES LIMITED (IN) 2016-11-03 WO claimed
US-20160310555-A1 CAPSICUM COMPOSITIONS AND USES THEREOF OMNIACTIVE HEALTH TECHNOLOGIES LIMITED (IN) 2016-10-27 US claimed
WO-2016174599-A1 CAPSICUM COMPOSITIONS AND USES THEREOF OMNIACTIVE HEALTH TECHNOLOGIES LIMITED (IN) 2016-11-03 WO disclosed
US-20160310555-A1 CAPSICUM COMPOSITIONS AND USES THEREOF OMNIACTIVE HEALTH TECHNOLOGIES LIMITED (IN) 2016-10-27 US disclosed