SCHEMBL22353025

SCHEMBL22353025

C=C(C)COc1ccc2c(c1)C(=C)c1cc(OC(=O)C(=C)C)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ELANE P08246 1/20 0.40
GPR174 Q9BXC1 1/20 0.40
KMT2A Q03164 10/20 0.39
MEN1 O00255 7/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 7/20 0.38
LMNA P02545 5/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 4/20 0.38
MAPK1 P28482 5/20 0.37
KDM4E B2RXH2 3/20 0.37
TP53 P04637 3/20 0.37
USP2 O75604 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL22345623 0.89 ELANE (0.49) MAPTL3MBTL1ELANEKMT2AMEN1
SCHEMBL19670076 0.84 ELANE (0.45) MAPTL3MBTL1ELANEGPR174KMT2A
SCHEMBL20112746 0.84 ELANE (0.40) MAPTL3MBTL1ELANEGPR174KMT2A
SCHEMBL22353034 0.83 ELANE (0.51) MAPTELANEKMT2AMEN1ALDH1A1
SCHEMBL22352941 0.83 ELANE (0.44) MAPTL3MBTL1ELANEKMT2APOLB
SCHEMBL22352930 0.82 ELANE (0.35) ELANEKMT2APOLBATMHTT
SCHEMBL22353041 0.81 ELANE (0.46) MAPTELANEKMT2APOLBATM
SCHEMBL27053111 0.80 ELANE (0.41) MAPTELANEKMT2AATM
SCHEMBL20112833 0.80 KMT2A (0.45) MAPTL3MBTL1ELANEGPR174KMT2A
SCHEMBL21469988 0.79 MAPT (0.43) MAPTL3MBTL1ELANEGPR174KMT2A

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-2020165394-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-08-20 WO disclosed