SCHEMBL6637645

SCHEMBL6637645

O=C(O)C(=Cc1ccccc1)OCF

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
AKR1C1 Q04828 1/20 0.44
RECQL P46063 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL20596721 0.86 MCL1 (0.45) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL528920 0.83 MEN1 (0.49) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL924566 0.83 MEN1 (0.49) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL17311135 0.82 AKR1C1 (0.46) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL2229690 0.81 MEN1 (0.66) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL10661140 0.80 LMNA (0.56) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL12500129 0.80 LMNA (0.56) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL11683148 0.80 MEN1 (0.46) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL4064482 0.80 MEN1 (0.42) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL368334 0.79 CYP3A4 (0.51) MEN1KMT2AAKR1C3CYP3A4CYP2C9

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
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO disclosed