SCHEMBL9769666

SCHEMBL9769666

CCOC(=O)C1CCCCC1C(=O)Nc1cc(OCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
GLA P06280 1/20 0.44
ADAM17 P78536 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER1 P34995 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
BRD4 O60885 1/20 0.41
CYP19A1 P11511 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9769706 0.83 PPOX (0.43) GLAALDH1A1CYP2C19L3MBTL1MEN1
SCHEMBL9769699 0.82 PPOX (0.46) GLAALDH1A1CYP2C19L3MBTL1TAS1R3
SCHEMBL18571141 0.80 BRD4 (0.41) L3MBTL1TAS1R3TAS1R1BRD4POLB
SCHEMBL8083691 0.74 NPC1 (0.44) RAB9AALDH1A1MEN1KMT2A
SCHEMBL20924718 0.73 TSHR (0.52) ALDH1A1L3MBTL1TSHRPOLB
SCHEMBL9769759 0.72 TSHR (0.40) GLAALDH1A1CYP2C19L3MBTL1MEN1
SCHEMBL18571143 0.70 SCN7A (0.43) BRD4POLB
SCHEMBL18556031 0.70 SCN7A (0.43) BRD4POLB
SCHEMBL7922423 0.70 SCN9A (0.48) ALDH1A1CYP2C19CYP1A2CYP2C9L3MBTL1
SCHEMBL15668884 0.70 APP (0.54) RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2072145-A None JP disclosed
US-5068365-A Herbicides TOSOH CORPORATION (JP) 1991-11-26 US disclosed
JP-H0272145-A HEXAHYDROPHTHALIC ACID ANILIDE DERIVATIVE, PRODUCTION THEREOF AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT TOSOH CORP 1990-03-12 JP disclosed
EP-0326764-A2 Hexahydrophthalic anilide derivatives and herbicide compositions containing the same Tosoh Corporation (JP) 1989-08-09 EP disclosed