SCHEMBL7747650

SCHEMBL7747650

CCOC(=O)COc1cccc(Oc2c[c]c(F)cc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
PPARG P37231 1/20 0.45
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
NLRP3 Q96P20 2/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
PPOX P50336 1/20 0.38
CNR1 P21554 1/20 0.38
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7740125 0.90 GAA (0.46) MAPTLMNAPOLBGAAKDM4E
SCHEMBL7740071 0.84 USP2 (0.44) MAPTLMNANLRP3GAAHPGD
SCHEMBL7745375 0.84 PPARA (0.43) PPARAPPARGMAPTPOLBNLRP3
SCHEMBL6592649 0.84 PPOX (0.47) LMNANLRP3GAAKDM4EHSD17B10
SCHEMBL6668914 0.82 L3MBTL1 (0.37) MAPTLMNAPOLBNLRP3GAA
SCHEMBL6665284 0.77 ALDH1A1 (0.38) MAPTPOLBNLRP3GAAKDM4E
SCHEMBL9863137 0.77 PPARA (0.67) PPARAPPARGMAPTLMNAGAA
SCHEMBL7740084 0.76 MAPT (0.42) MAPTLMNAPOLBKDM4EHSD17B10
SCHEMBL7740123 0.75 MAOB (0.38) PPARALMNACYP1A2PPARD
SCHEMBL8897355 0.74 TNF (0.39) MAPTLMNAGAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed