SCHEMBL11656771

SCHEMBL11656771

CCCOC(=O)C=COc1ccc(Cl)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.48
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HPGD P15428 2/20 0.39
TTR P02766 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HSPA5 P11021 1/20 0.38
CBR1 P16152 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
AGTR1 P30556 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL29071642 0.85 APP (0.49) APPALOX5MAPTHCAR2TTR
SCHEMBL305978 0.81 APP (0.49) APPALOX5ALDH1A1MAPTHCAR2
SCHEMBL29071475 0.77 APP (0.42) APPALOX5ALDH1A1HCAR2TTR
SCHEMBL19377862 0.77 MAPT (0.54) ALDH1A1MAPTTDP1L3MBTL1HPGD
SCHEMBL11623017 0.77 MAPT (0.54) ALDH1A1MAPTTDP1L3MBTL1HPGD
SCHEMBL17513205 0.77 MAPT (0.54) ALDH1A1MAPTTDP1L3MBTL1HPGD
SCHEMBL28507077 0.74 MAPT (0.45) ALDH1A1MAPTL3MBTL1HPGDTTR
SCHEMBL28439526 0.74 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1HPGDTTR
Methacrylic Acid SCHEMBL28158788 0.73 APP (0.42) APPALOX5ALDH1A1HCAR2HPGD
SCHEMBL28478347 0.73 APP (0.38) APPALOX5ALDH1A1TDP1HCAR2

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-4120721-A ACRYLIC OR METHACRYLIC TERMINATED, URETHANE CONTAINING POLYENE; WATER INSOLUBLE VINYL MONOMER DILUENT; POLYTHIOL; PHOTOINITIATOR W. R. GRACE & CO. (US) 1978-10-17 US disclosed