SCHEMBL9656141

SCHEMBL9656141

C/C(=C\c1cc(N)ccc1Cl)CC(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
CYP3A4 P08684 3/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 1/20 0.33
PTPN1 P18031 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 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
SCHEMBL9656146 1.00 KMO (0.35) KMOGRIK1GRIK2CYP3A4TSHR
SCHEMBL9329084 0.87 GAA (0.35) CYP3A4TSHRMAPTALDH1A1GAA
SCHEMBL9763394 0.77 AKR1C3 (0.42) CYP3A4TSHRMAPTKDM4EALDH1A1
SCHEMBL9330262 0.77 GAA (0.39) CYP3A4TSHRMAPTALDH1A1GAA
SCHEMBL9655352 0.77 GAA (0.39) CYP3A4TSHRMAPTALDH1A1GAA
SCHEMBL9656936 0.75 GRIK1 (0.47) KMOGRIK1GRIK2CYP3A4TSHR
SCHEMBL9656928 0.75 GRIK1 (0.47) KMOGRIK1GRIK2CYP3A4TSHR
SCHEMBL7727179 0.72 CYP3A4 (0.41) CYP3A4TSHRMAPTKDM4EALDH1A1
SCHEMBL7727183 0.72 CYP3A4 (0.41) CYP3A4TSHRMAPTKDM4EALDH1A1
SCHEMBL9305897 0.71 GAA (0.41) CYP3A4TSHRMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5123955-A Herbicides, chloro and tetrahydrophthalimido-substituted phenyl PLATH PETER (DE) 1992-06-23 US disclosed
US-4933001-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed