SCHEMBL11047125

SCHEMBL11047125

CC1CCC(NC(=O)NC2CCC(C)CC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.83
EPHX2 P34913 4/20 0.61
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
GFER P55789 1/20 0.51
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
ADRA2A P08913 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 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
SCHEMBL12196106 0.91 EPHX1 (1.00) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL14384726 0.91 EPHX1 (1.00) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL15448401 0.88 EPHX1 (0.67) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL9547538 0.86 EPHX2 (0.78) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL20233001 0.83 EPHX1 (0.60) EPHX1EPHX2ALDH1A1RAB9AKDM4E
SCHEMBL14654896 0.83 EPHX1 (0.66) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL23573287 0.82 EPHX1 (0.59) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL13036243 0.82 EPHX1 (0.59) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL4761484 0.82 EPHX1 (0.59) EPHX1EPHX2ALDH1A1RAB9ANPC1
SCHEMBL13035805 0.82 EPHX1 (0.59) EPHX1EPHX2ALDH1A1RAB9ANPC1

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
US-4428923-A Continuous process for the production of hydrogen peroxide according to the anthraquinone process DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed