SCHEMBL257897

SCHEMBL257897

Cc1ccc(Oc2cccc(C(=O)N3CCCC3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 2/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 2/20 0.62
MAPT P10636 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
PARP10 Q53GL7 5/20 0.55
PARP14 Q460N5 4/20 0.55
RAB9A P51151 1/20 0.55
F10 P00742 2/20 0.55
POLB P06746 1/20 0.53
NR1H2 P55055 1/20 0.53
NR1H3 Q13133 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL257857 0.84 MEN1 (0.58) MEN1KMT2AHTTGAAHPGD
SCHEMBL753990 0.84 MEN1 (0.58) MEN1KMT2AHTTGAAHPGD
SCHEMBL757027 0.84 MEN1 (0.58) MEN1KMT2AHTTGAAMAPT
SCHEMBL903593 0.82 MAPT (0.85) MEN1KMT2AHTTMAPTCRHBP
SCHEMBL8738334 0.82 PARP14 (0.78) MEN1KMT2AHTTMAPTCRHBP
SCHEMBL903429 0.81 KMT2A (0.85) MEN1KMT2AHTTHPGDMAPT
SCHEMBL2536884 0.81 L3MBTL1 (0.76) MEN1KMT2AHTTGAAHPGD
SCHEMBL3455749 0.80 KMT2A (0.60) MEN1KMT2AHTTGAAHPGD
SCHEMBL14601259 0.80 PARP10 (0.67) HTTMAPTCRHBPCRHR2PARP10
SCHEMBL14277718 0.80 PARP14 (0.69) MEN1KMT2AHTTMAPTCRHBP

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
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed