SCHEMBL9116995

SCHEMBL9116995

O=C(CC(=O)C1CC1)c1ccc(C(F)(F)F)cc1COC(F)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KMT2A Q03164 2/20 0.35
CFTR P13569 1/20 0.34
MGLL Q99685 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
SCN8A Q9UQD0 2/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL9116989 0.83 ALDH1A1 (0.38) LIPCLIPGKMT2ACFTRRXFP1
SCHEMBL9116985 0.81 LIPC (0.36) LIPCLIPGKMT2ACFTRRXFP1
SCHEMBL5842222 0.80 LIPC (0.40) LIPCLIPGKMT2ACFTRRXFP1
SCHEMBL8524590 0.76 MEN1 (0.46) LIPCLIPGKMT2ACFTRRXFP1
SCHEMBL8815743 0.76 LIPC (0.42) LIPCLIPGKMT2ACFTRMEN1
SCHEMBL8489374 0.76 CES2 (0.55) LIPCLIPGKMT2ACFTRRXFP1
SCHEMBL9115125 0.75 PTGDR2 (0.32) LIPGKMT2AMGLLCES2PTGDR2
SCHEMBL8489200 0.74 KDM4E (0.44) LIPCLIPGKMT2AMEN1TSHR
SCHEMBL8755009 0.73 GRM5 (0.39) LIPCLIPGPTGDR2KDM4E
SCHEMBL1823768 0.73 CACNA1B (0.46) LIPCLIPGKMT2ACFTRKDM4E

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