SCHEMBL10694426

SCHEMBL10694426

CC(Cl)(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
CHRNA4 P43681 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
NFKB1 P19838 1/20 0.47
LMNA P02545 2/20 0.46
PMP22 Q01453 1/20 0.46
NLRP3 Q96P20 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL12265997 0.84 SMN1; SMN2 (0.53) SLC6A2PPARAPPARGCYP3A4CYP1A2
SCHEMBL4175635 0.84 SMN1; SMN2 (0.53) SLC6A2PPARAPPARGCYP3A4CYP1A2
SCHEMBL6469200 0.82 GRN (0.54) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL27792993 0.81 PPARA (0.55) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL5539129 0.79 BLM (0.71) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL5539133 0.79 BLM (0.71) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL11527067 0.78 PPARA (0.54) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL11279619 0.78 PTGES2 (0.53) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL11107882 0.77 SLC6A4 (0.56) SLC6A4SLC6A2HTR2AHRH1HTR2B
SCHEMBL4328573 0.76 SLC6A4 (0.55) SLC6A4SLC6A2HTR2AHRH1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed
US-4632696-A POSTEMERGENCE, PREEMERGENCE APPLICATIONS BASF AKTIENGESELLSCHAFT (DE) 1986-12-30 US disclosed
US-4568383-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-02-04 US disclosed
US-4497651-A Dichloroquinoline derivatives for use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed
US-4316014-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-3992188-A Herbicidal mixtures of pyridazones and phenylsulfonyl methanesulfone O-alkylbenzene BASF AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3933460-A Herbicidal mixture of a benzofuranyl methanesulfonate and a substituted pyridazone BASF AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed