SCHEMBL9116989

SCHEMBL9116989

O=C(CC(=O)C1CC1)c1ccc(C(F)(F)F)cc1COCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
CFTR P13569 1/20 0.36
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
CES2 O00748 1/20 0.35
POLB P06746 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL9116985 0.84 LIPC (0.36) ALDH1A1LIPCLIPGKMT2AMEN1
SCHEMBL9116995 0.83 LIPC (0.35) LIPCLIPGKMT2AMEN1CFTR
SCHEMBL5842222 0.83 LIPC (0.40) ALDH1A1LIPCLIPGKMT2AMEN1
SCHEMBL8524590 0.78 MEN1 (0.46) ALDH1A1LIPCLIPGKMT2AMEN1
SCHEMBL8489374 0.78 CES2 (0.55) ALDH1A1LMNALIPCLIPGKMT2A
SCHEMBL8815743 0.78 LIPC (0.42) ALDH1A1LIPCLIPGKMT2AMEN1
SCHEMBL8755009 0.78 GRM5 (0.39) ALDH1A1LIPCLIPGPTGDR2KDM4E
SCHEMBL8489200 0.77 KDM4E (0.44) ALDH1A1LMNALIPCLIPGKMT2A
SCHEMBL5842219 0.74 LIPC (0.39) ALDH1A1LIPCLIPGKMT2AMEN1
SCHEMBL6751338 0.74 SLC6A9 (0.41) ALDH1A1LIPCLIPGKMT2AMEN1

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-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed