SCHEMBL7745237

SCHEMBL7745237

CCOC(=O)CCc1c[c]c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KAT2B Q92831 1/20 0.37
PKM P14618 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
NLRP3 Q96P20 1/20 0.35
DPP4 P27487 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
TNF P01375 1/20 0.33
CYP4Z1 Q86W10 1/20 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
SCHEMBL6593484 0.86 L3MBTL1 (0.37) ALDH1A1GAAKAT2BLMNAKMT2A
SCHEMBL7745256 0.83 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL8897355 0.78 TNF (0.39) ALDH1A1GAAKAT2BPKMLMNA
SCHEMBL6594864 0.77 CYP2C9 (0.39) ALDH1A1NLRP3LMNAMEN1KMT2A
SCHEMBL6596836 0.76 CYP3A4 (0.38) CYP4F2CYP4A11ALDH1A1LMNAMEN1
SCHEMBL6592649 0.75 PPOX (0.47) ALDH1A1GAAPKMNLRP3LMNA
SCHEMBL6597838 0.74 ALDH1A1 (0.43) ALDH1A1GAALMNAL3MBTL1MAPT
SCHEMBL901696 0.74 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL6594481 0.74 BAZ2B (0.49) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL8361251 0.74 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAAKAT2B

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 5 patents. 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
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed
WO-1997005117-A1 SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 WO disclosed