SCHEMBL10165659

SCHEMBL10165659

CCC(C)(C)C(=O)OCCNC(=O)Nc1cccc2ccc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
TRPV1 Q8NER1 9/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPY5R Q15761 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL13667488 0.88 EPHX1 (0.63) EPHX1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL10136175 0.81 TP53 (0.49) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL13667491 0.80 ITGB3 (0.54) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL10136182 0.76 MAOA (0.49) EPHX1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL13223598 0.75 POLB (0.40) EPHX1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL801356 0.74 SMN1; SMN2 (0.53) EPHX1ALDH1A1RAB9AKDM4EGAA
SCHEMBL2742140 0.73 EPHX2 (0.49) EPHX1ALDH1A1GAANPSR1HSD17B10
SCHEMBL13174558 0.73 POLB (0.43) EPHX1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL12934610 0.73 ALDH1A1 (0.41) ALDH1A1RAB9AKDM4EMEN1KMT2A
SCHEMBL13667493 0.73 EPHX1 (0.40) EPHX1ALDH1A1MEN1KMT2ANPY5R

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-20120076951-A1 BLACK INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-29 US disclosed