SCHEMBL21152585

SCHEMBL21152585

CC(C)OCCOC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
ALDH1A1 P00352 7/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
AKR1C3 P42330 1/20 0.46
LMNA P02545 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL11985680 0.87 ALDH1A1 (0.62) TSHRALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL9906969 0.85 ALDH1A1 (0.47) TSHRALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL2695470 0.84 LMNA (0.62) TSHRALDH1A1TDP1MAPK1LMNA
SCHEMBL21567537 0.81 ALDH1A1 (0.77) TSHRALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL12287302 0.81 ALDH1A1 (0.43) TSHRALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL14594371 0.81 TDP1 (0.67) TSHRALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL3505705 0.80 TDP1 (0.65) TSHRALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL31609323 0.80 TDP1 (0.65) TSHRALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL1246046 0.80 L3MBTL1 (0.57) TSHRALDH1A1L3MBTL1CYP3A4CYP1A2
SCHEMBL11985705 0.80 ALDH1A1 (0.65) TSHRALDH1A1L3MBTL1CYP3A4CYP1A2

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-20190211184-A1 POLYCYCLIC GLYOXYLATES AS PHOTOINITIATORS IGM GROUP B.V. (NL) 2019-07-11 US disclosed