SCHEMBL11684121

SCHEMBL11684121

O=C=Nc1ccc(OCCCl)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
S1PR4 O95977 1/20 0.33
TRPA1 O75762 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
HPGD P15428 1/20 0.33
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33

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
SCHEMBL19461581 0.83 RXRA (0.47) PPARGPPARDPPARAMAPK1TDP1
SCHEMBL10918535 0.80 MAPK1 (0.42) PPARGPPARDPPARAMAPK1TDP1
SCHEMBL11685252 0.80 TDP1 (0.54) PPARGPPARDPPARAMAPK1TDP1
SCHEMBL10918491 0.79 TDP1 (0.41) PPARGPPARDPPARAMAPK1TDP1
SCHEMBL11686348 0.78 CYP3A4 (0.46) PPARGPPARDPPARAMAPK1TDP1
SCHEMBL1091015 0.78 CYP3A4 (0.42) PPARGPPARDPPARAMAPK1TDP1
SCHEMBL19461641 0.74 RXRA (0.46) PPARGPPARDPPARAMAPK1TDP1
SCHEMBL1555041 0.73 MAPK1 (0.47) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL29397209 0.72 MAPK1 (0.61) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL58303 0.72 MAPK1 (0.61) MAPK1TDP1CYP3A4TSHRTRPA1

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-4013452-A Urea derivatives and their use as herbicides HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3937726-A UREA DERIVATIVES AND THEIR USE AS HERBICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-10 US disclosed