SCHEMBL9726804

SCHEMBL9726804

COc1ccc(C(=O)c2ccc(OC)cc2Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.82
RAB9A P51151 4/20 0.82
KMT2A Q03164 3/20 0.71
MAPK1 P28482 5/20 0.69
HTT P42858 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
GAA P10253 2/20 0.69
NPC1 O15118 3/20 0.68
HPGD P15428 3/20 0.61
POLB P06746 2/20 0.60
ALDH1A1 P00352 4/20 0.55
LMNA P02545 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
PGR P06401 1/20 0.55
CYP2D6 P10635 1/20 0.55
SLC6A2 P23975 1/20 0.55
PDE4A P27815 1/20 0.55
HRH1 P35367 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL3809736 0.93 MAPT (0.82) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL9662542 0.91 MAPT (0.68) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL4743098 0.90 MAPT (1.00) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL27983727 0.90 HTT (0.69) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL7091405 0.89 RAB9A (0.65) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL13193975 0.88 MAPT (0.65) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL30823770 0.87 MAPT (0.73) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL3468717 0.87 MAPT (0.73) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL30574108 0.87 MAPT (0.73) MAPTRAB9AKMT2AMAPK1HTT
SCHEMBL11711133 0.87 MAPT (0.73) MAPTRAB9AKMT2AMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed