SCHEMBL9644757

SCHEMBL9644757

CC(C)(Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.49
PPARG P37231 6/20 0.48
PPARD Q03181 5/20 0.48
TBXA2R P21731 6/20 0.47
SLC22A12 Q96S37 1/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
AR P10275 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
SCHEMBL12674438 0.88 TBXA2R (0.46) PPARAPPARGPPARDTBXA2RAR
SCHEMBL5442371 0.83 TBXA2R (0.47) PPARAPPARGPPARDTBXA2R
SCHEMBL4452562 0.83 TBXA2R (0.47) PPARAPPARGPPARDTBXA2R
SCHEMBL4700424 0.81 PPARA (0.64) PPARAPPARGPPARDSLC22A12MEN1
SCHEMBL10383517 0.81 TBXA2R (0.42) PPARAPPARGPPARDTBXA2RAR
SCHEMBL10411274 0.81 TBXA2R (0.41) PPARAPPARGPPARDTBXA2RAR
SCHEMBL18408651 0.78 PTGDR2 (0.53) PPARGPPARDTBXA2R
SCHEMBL1981959 0.78 GAA (0.53) TBXA2RSLC22A12CYP1A2CYP2C19AR
SCHEMBL118030 0.78 GAA (0.53) TBXA2RSLC22A12CYP1A2CYP2C19AR
SCHEMBL12668049 0.78 GAA (0.53) TBXA2RSLC22A12CYP1A2CYP2C19AR

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-0302203-B1 HERBICIDAL FLUOROPHENOXYPHENOXYALKANOIC ACIDS AND DERIVATIVES THEREOF DOWELANCO (US) 1992-10-28 EP disclosed
US-4980494-A Chemical intermediate for postemergent herbicides; controlling grassy weeds THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed
US-4894085-A GRASSES, WEEDS THE DOW CHEMICAL COMPANY (US) 1990-01-16 US disclosed