SCHEMBL8932232

SCHEMBL8932232

Oc1cc(C(F)(F)F)nn1C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
NR3C2 P08235 1/20 0.36
ATR Q13535 3/20 0.35
GAA P10253 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RET P07949 5/20 0.32
ESR1 P03372 1/20 0.31
MAPT P10636 1/20 0.31
CNR2 P34972 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL14726472 0.83 CYP4F2 (0.42) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL18758369 0.83 CYP4F2 (0.37) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL22604901 0.83 GAA (0.42) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL3039870 0.82 CYP4F2 (0.37) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL22824028 0.80 MEN1 (0.37) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL30705605 0.79 RXRA (0.47) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL29223502 0.79 CYP4F2 (0.35) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL3631508 0.79 CYP4F2 (0.34) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL30705522 0.78 NR3C2 (0.36) CYP4F2CYP4A11NR3C2ATRGAA
SCHEMBL19879315 0.77 PTGS2 (0.43) CYP4F2CYP4A11NR3C2ATRALDH1A1

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
US-5536701-A 3-pyrazolyloxypyridazines, herbicidal compositions and uses thereof MONSANTO COMPANY (US) 1996-07-16 US disclosed