SCHEMBL7543464

SCHEMBL7543464

COC(=O)Oc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SLC6A4 P31645 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5487011 0.88 ESR1 (0.54) NPC1RAB9AMRGPRX4ESR1ESR2
SCHEMBL15967552 0.82 HPGD (0.45) NPC1RAB9AMRGPRX4ESR1ESR2
SCHEMBL13135118 0.81 MTNR1B (0.57) NPC1RAB9AESR1ESR2MEN1
SCHEMBL19320327 0.81 RXRA (0.51)
SCHEMBL287805 0.81 CYP3A4 (0.63) NPC1RAB9AESR1ESR2MEN1
SCHEMBL1788901 0.81 POLB (0.47) MRGPRX4ESR1ESR2MEN1KMT2A
SCHEMBL1789018 0.81 ELANE (0.51) NPC1RAB9AMRGPRX4ESR1ESR2
SCHEMBL1787081 0.80 HPGD (0.47) MRGPRX4ESR1ESR2MEN1KMT2A
SCHEMBL28452476 0.80 CYP4F2 (0.46) NPC1RAB9AMRGPRX4MEN1KMT2A
SCHEMBL5199329 0.80 HPGD (0.49) NPC1RAB9AMRGPRX4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed