SCHEMBL3963660

SCHEMBL3963660

CC#CCC(CC#CC)(C(=O)O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 5/20 0.33
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
MMP8 P22894 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL13259166 0.90 MEN1 (0.48) MEN1KMT2APIN1ALDH1A1PKM
SCHEMBL13259175 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL24425847 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1PKMKDM4E
SCHEMBL23857751 0.80 GRIK1 (0.32) ALDH1A1TSHR
SCHEMBL27861619 0.79 MEN1 (0.46) MEN1KMT2APIN1ALDH1A1PKM
SCHEMBL10907489 0.79 ALDH1A1 (0.52) PIN1ALDH1A1RECQLMMP8THRB
SCHEMBL24425861 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL15551008 0.77 MMP8 (0.43) MEN1KMT2APIN1ALDH1A1PKM
SCHEMBL6893301 0.77 CYP4F2 (0.46) MEN1KMT2APIN1ALDH1A1PKM
SCHEMBL456197 0.76 MEN1 (0.48) MEN1KMT2APIN1ALDH1A1PKM

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-2009044130-A1 BIARYL DIPHOSPHINES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-04-09 WO disclosed