SCHEMBL7741254

SCHEMBL7741254

CCOP(=O)(OCC)c1cc2cc(-c3ccc4ccccc4c3)c(Cl)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.37
GSTP1 P09211 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FASN P49327 1/20 0.35
PRKAG1 P54619 4/20 0.35
PRKAB1 Q9Y478 4/20 0.35
PRKAA1 Q13131 3/20 0.35
UTRN P46939 2/20 0.34

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
SCHEMBL7739842 0.89 PRKAG1 (0.42) PTGESKMT2AMEN1ALDH1A1HPGD
SCHEMBL7740612 0.89 PRKAG1 (0.40) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL7741117 0.86 PRKAG1 (0.37) PTGESKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7739643 0.85 GSK3B (0.37) KMT2AKDM4EALDH1A1LMNAGAA
SCHEMBL7739963 0.83 KDM4E (0.37) PTGESKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7740617 0.82 PTGES (0.36) PTGESRAB9APRKAG1PRKAB1PRKAA1
SCHEMBL7741113 0.82 IDH1 (0.41) KDM4EALDH1A1PRKAG1PRKAB1PRKAA1
SCHEMBL7741244 0.82 PTGES (0.40) PTGESGSTP1KMT2AMEN1FASN
SCHEMBL7742768 0.82 CYP1A2 (0.41) KMT2AMEN1NPC1ALDH1A1LMNA
SCHEMBL7741417 0.82 CA12 (0.39) PRKAG1PRKAB1PRKAA1

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-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed