SCHEMBL22462326

SCHEMBL22462326

CC1Cc2c(C(F)(F)F)ccc(C(=O)O)c2S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
APOBEC3A P31941 1/20 0.40
HTT P42858 1/20 0.40
YWHAG P61981 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DAO P14920 1/20 0.35
TAS2R14 Q9NYV8 3/20 0.33
NOTUM Q6P988 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CYP2C19 P33261 1/20 0.32
ASPH Q12797 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
SCHEMBL8118967 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10USP2
Hydrochloric Acid SCHEMBL8119844 0.77 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL16346430 0.70 CYP2C19 (0.34) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL31440667 0.69 DAO (0.41) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL22462329 0.69 DAO (0.41) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL22462328 0.69 DAO (0.35) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL10053348 0.64 TAS2R14 (0.51) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL22749580 0.64 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10DAO
SCHEMBL16762134 0.63 TAS2R14 (0.40) KDM4EALDH1A1HPGDHSD17B10DAO
SCHEMBL4647359 0.62 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10USP2

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
EP-3713417-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES Bayer Aktiengesellschaft (DE) 2020-09-30 EP disclosed