SCHEMBL23464014

SCHEMBL23464014

CC(COc1ccc(C(C)C)cc1)OCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
GRM2 Q14416 1/20 0.41
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FKBP1A P62942 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL28642031 0.87 TDP1 (0.43) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL194635 0.85 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL30933067 0.85 ALDH1A1 (0.40) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL24689493 0.85 TDP1 (0.62) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL3143396 0.84 KMT2A (0.60) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL7966302 0.84 KMT2A (0.60) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL7966299 0.84 KMT2A (0.60) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL194944 0.83 ALDH1A1 (0.68) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL28863977 0.82 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTTP53
SCHEMBL24856805 0.81 ALDH1A1 (0.65) KMT2AALDH1A1MEN1MAPTTP53

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
WO-2021108204-A1 AROMATIC SUBSTITUTED ETHANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed