SCHEMBL8900303

SCHEMBL8900303

C=CCOc1ccc(C(C)(C)c2ccc(OCC=C)c(OCC)c2OCC)c(OCC)c1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 2/20 0.42
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTR2C P28335 4/20 0.35
HTR2A P28223 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2B P41595 2/20 0.35
ADRA2A P08913 1/20 0.34

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
SCHEMBL31195673 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTKDM4E
SCHEMBL4123478 0.83 MEN1 (0.30) ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL23706781 0.78 MAPT (0.40) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2247894 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL228775 0.77 THRB (0.39) ALDH1A1MEN1KMT2ACYP2D6HTT
SCHEMBL29385502 0.77 THRB (0.39) ALDH1A1MEN1KMT2ACYP2D6HTT
Propane SCHEMBL27691099 0.76 LMNA (0.42) ALDH1A1MEN1KMT2ACYP2D6LMNA
SCHEMBL9486272 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL10708460 0.76 THRB (0.38) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9065182 0.76 THRB (0.38) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2

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-5698285-A PHOTOCURABLE THREE BOND CO., LTD. (JP) 1997-12-16 US disclosed