SCHEMBL8944041

SCHEMBL8944041

c1cc(Nc2ccc3ccccc3c2)c(Nc2ccc3ccccc3c2)c(OCCCCCCOc2cccc(Nc3ccc4ccccc4c3)c2Nc2ccc3ccccc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 1/20 0.42
KCNA3 P22001 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 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
SCHEMBL8944257 0.90 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10HPGDKCNA3
SCHEMBL8944034 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10HPGDKCNA3
SCHEMBL28539210 0.81 TLR4 (0.42) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL8944399 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL8943654 0.79 MAPT (0.39) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL8943887 0.77 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL8944280 0.77 MAPT (0.44) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL8943921 0.76 KCNA3 (0.44) ALDH1A1KCNA3MEN1KMT2AKDM4E
SCHEMBL8943795 0.75 SLC6A4 (0.50) ALDH1A1CYP3A4HSD17B10HPGDKCNA3
SCHEMBL8943909 0.74 MEN1 (0.56) MEN1KMT2ANPC1MAPTTSHR

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