SCHEMBL9416780

SCHEMBL9416780

CCOC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPHX2 P34913 1/20 0.47
TLR2 O60603 1/20 0.46
MET P08581 1/20 0.45
MTOR P42345 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
TRPV1 Q8NER1 2/20 0.45
FAAH O00519 1/20 0.45
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL3426723 0.86 LMNA (0.56) MAPTNPSR1MEN1KMT2AHTT
SCHEMBL374160 0.86 MAPT (0.56) MAPTNPSR1MEN1KMT2AMET
SCHEMBL27941570 0.85 SMN1; SMN2 (0.44) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL15897371 0.83 OPRM1 (0.47) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10626087 0.83 FPR2 (0.50) MAPTNPSR1MEN1KMT2AHTT
SCHEMBL2151745 0.83 SMN1; SMN2 (0.51) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10631026 0.82 SMN1; SMN2 (0.57) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10627232 0.80 SAE1 (0.47) MAPTNPSR1MEN1KMT2AHTT
SCHEMBL15688086 0.80 THRB (0.62) THRBEPHX2METMTORTRPV1
SCHEMBL10631447 0.79 LMNA (0.57) MAPTNPSR1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed