SCHEMBL22746641

SCHEMBL22746641

C=Cc1cccc2c1/C(=C\C)C(=O)CC2=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DRD2 P14416 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL21090481 0.84 MAPT (0.47) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL22734366 0.84 MAPT (0.38) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL12430646 0.74 GSK3B (0.39) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL18820925 0.74 ALDH1A1 (0.38) DRD2ALDH1A1
SCHEMBL18885290 0.73 MEN1 (0.41) MAPTKMT2ADRD2KDM4EALDH1A1
SCHEMBL20258458 0.72 DRD2 (0.33) DRD2
SCHEMBL8289269 0.71 KMT2A (0.45) MAPTRECQLKMT2AMCL1RXFP1
SCHEMBL21090301 0.66 BCHE (0.42) MAPTKMT2ADRD2KDM4EALDH1A1
SCHEMBL21090302 0.66 BCHE (0.42) MAPTKDM4EALDH1A1
SCHEMBL13918668 0.66 ALDH1A1 (0.39) MAPTDRD2KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119293-A1 METHOD OF CONTROLLING SCALE IN AQUEOUS SYSTEMS NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2022-04-21 US disclosed
WO-2020243180-A1 METHOD OF CONTROLLING CARBONATE SCALE IN AQUEOUS SYSTEMS NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-12-03 WO disclosed