SCHEMBL11241728

SCHEMBL11241728

CCOCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.52
MEN1 O00255 1/20 0.51
TTR P02766 1/20 0.51
PPOX P50336 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MRGPRX4 Q96LA9 5/20 0.48
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
HTR2A P28223 4/20 0.43
SLC6A4 P31645 4/20 0.43
KCNH2 Q12809 4/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL11246273 0.89 FFAR1 (0.54) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11244489 0.86 TDP1 (0.49) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11242846 0.84 FFAR1 (0.51) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11246118 0.84 MEN1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL29448825 0.82 TDP1 (0.58) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL11854430 0.82 TDP1 (0.58) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10671734 0.82 MRGPRX4 (0.58) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL9839710 0.82 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL1830418 0.82 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL141674 0.82 FFAR1 (0.50) FFAR1MEN1TTRPPOXKMT2A

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-4334914-A PRE-AND POSTEMERGENT APPLICATION NIHON NOHYAKU CO., LTD. (JP) 1982-06-15 US disclosed
EP-0034457-A1 Benzoate derivative, method of preparing the same and use thereof NIHON NOHYAKU CO., LTD. (JP) 1981-08-26 EP disclosed