SCHEMBL30074396

SCHEMBL30074396

O=C(Nc1ccc(OC(F)(F)F)cc1)C1(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.65
MAPT P10636 2/20 0.56
TRPV1 Q8NER1 3/20 0.54
KMT2A Q03164 2/20 0.54
EPHX1 P07099 2/20 0.52
FAAH O00519 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL28533796 0.91 EPHX2 (0.58) EPHX2MAPTTRPV1KMT2AEPHX1
SCHEMBL21580342 0.84 EPHX2 (0.61) EPHX2MAPTTRPV1KMT2AEPHX1
SCHEMBL26075729 0.81 EGFR (0.53)
SCHEMBL1145512 0.80 EPHX1 (0.56) EPHX2MAPTTRPV1KMT2AEPHX1
SCHEMBL11555827 0.79 EPHX2 (1.00) EPHX2MAPTTRPV1KMT2AEPHX1
SCHEMBL26074438 0.79 MET (0.46) MAPTSMN1; SMN2NPC1HPGDKDM4E
SCHEMBL30074433 0.78 NPC1 (0.61) MAPTTRPV1KMT2AFAAHSMN1; SMN2
SCHEMBL2096310 0.78 EPHX2 (0.76) EPHX2MAPTTRPV1KMT2AEPHX1
SCHEMBL2096312 0.78 EPHX2 (0.76) EPHX2MAPTTRPV1KMT2AEPHX1
SCHEMBL31490975 0.76 EPHX2 (0.73) EPHX2MAPTTRPV1KMT2AEPHX1

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
CN-112142619-B 1, 1-cyclopropane dicarboxylic acid amide compound and preparation method and application thereof 浙江工业大学 2023-01-10 CN disclosed