SCHEMBL8944178

SCHEMBL8944178

CCCOc1ccc(N(c2ccc(OCCC)cc2)c2ccc(OCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
PLK1 P53350 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL17997474 0.92 LTA4H (0.55) LTA4HCA12CA1CA2CA7
SCHEMBL10005370 0.92 DRD2 (0.48) LTA4HCA12CA1CA2CA7
SCHEMBL8944354 0.92 TSHR (0.49) LTA4HCA12CA1CA2CA7
SCHEMBL8944015 0.91 LTA4H (0.57) LTA4HCA12CA1CA2CA7
SCHEMBL14163830 0.91 LTA4H (0.57) LTA4HCA12CA1CA2CA7
1,4-Dipropoxybenzene SCHEMBL122039 0.87 LTA4H (0.67) LTA4HCA12CA1CA2CA7
SCHEMBL10890169 0.87 LSS (0.53) LTA4HCYP2C9MAPTRAB9AKDM4E
SCHEMBL8944236 0.87 NQO1 (0.50) LTA4HCA12CA1CA2CA7
SCHEMBL1263098 0.86 ALDH1A1 (0.62) LTA4HCA12CA1CA2CA7
SCHEMBL13808346 0.85 LTA4H (0.64) LTA4HCA12CA1CA2CA7

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-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed