SCHEMBL17600671

SCHEMBL17600671

CCCCCCCCCCCCCCC1(C(=O)NCCCCCCCCCCCCCCCCCC(N)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.54
CASP2 P42575 1/20 0.44
EPHX1 P07099 6/20 0.43
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SOAT1 P35610 1/20 0.42
KMT2A Q03164 1/20 0.42
NAAA Q02083 1/20 0.41
PLA2G2A P14555 1/20 0.41
EPHX2 P34913 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL3682206 0.91 SPHK1 (0.54) SPHK1CASP2EPHX1NAAA
SCHEMBL5449643 0.86 SPHK1 (0.50) SPHK1CASP2EPHX1NAAA
SCHEMBL5450521 0.86 SPHK1 (0.50) SPHK1CASP2EPHX1NAAA
SCHEMBL8333228 0.84 SPHK1 (0.54) SPHK1CASP2EPHX1NAAA
SCHEMBL28594860 0.79 FAAH (0.46) SPHK1EPHX1FAAH
SCHEMBL29306656 0.76 SPHK1 (0.51) SPHK1CASP2EPHX1CYP3A4CYP2C19
Palmitamide SCHEMBL9561924 0.76 EPHX1 (0.57) CASP2EPHX1MEN1FAAHTP53
SCHEMBL22761937 0.75 CYP4F2 (0.38) SPHK1EPHX1MEN1KMT2A
SCHEMBL4876103 0.75 CASP2 (0.50) SPHK1CASP2FAAHNAAAEPHX2
Hexane SCHEMBL6916261 0.74 SOAT1 (0.44) SPHK1MEN1FAAHTP53CYP1A2

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
US-9649825-B2 Prepregs INFIANA GERMANY GMBH & CO. KG (DE) 2017-05-16 US disclosed
US-20160082698-A1 PREPREGS INFIANA GERMANY GMBH & CO. KG (DE) 2016-03-24 US disclosed