SCHEMBL9792272

SCHEMBL9792272

CC(COCCOCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.38
RECQL P46063 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ESR1 P03372 2/20 0.33
CYP3A4 P08684 2/20 0.33
ESR2 Q92731 2/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL8459651 0.96 ALDH1A1 (0.41) MEN1KMT2AALDH1A1RECQLALOX15
SCHEMBL10040057 0.81 CYP2C19 (0.40) MEN1KMT2AALDH1A1RECQLALOX15
SCHEMBL9469014 0.81 SMN1; SMN2 (0.55) MEN1KMT2AALDH1A1RECQLMAPK1
SCHEMBL11299878 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1RECQLALOX15
Di(Hydroxyethyl)Ether SCHEMBL11299876 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1RECQLALOX15
SCHEMBL9802154 0.78 KIF11 (0.50) MEN1KMT2AALDH1A1ALOX15MAPK1
SCHEMBL13295223 0.77 CYP2C19 (0.42) MEN1KMT2AALDH1A1RECQLALOX15
SCHEMBL18281614 0.77 CYP3A4 (0.37) MEN1KMT2AALDH1A1RECQLALOX15
SCHEMBL9801990 0.75 KIF11 (0.44) MAPK1CYP2C19CYP2C9TAAR1CYP3A4
Tetraethylene Glycol SCHEMBL28820875 0.75 NR1H2 (0.41) MEN1KMT2AALDH1A1RECQLMAPK1

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-4985346-A PHOTOCURABLE ACRYLATE RESIN BROTHER KOGYO KABUSHIKI KAISHA (JP) 1991-01-15 US disclosed