SCHEMBL6941433

SCHEMBL6941433

COc1ccc(C(CC(OC(=O)/C=C/C(=O)OC(CC(c2cccs2)c2ccc(OC)cc2OC)N(C(C)C)C(C)C)N(C(C)C)C(C)C)c2cccs2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
RECQL P46063 1/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 3/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6938121 0.81 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL12475470 0.78 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4ETDP1
Fumaric Acid SCHEMBL6941424 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4ETDP1
Fumaric Acid SCHEMBL6941440 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL27596521 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL12475494 0.71 USP2 (0.39) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL12475512 0.69 CA12 (0.42) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL12475574 0.68 CNR2 (0.50) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL27511397 0.67 MEN1 (0.42) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL6937139 0.67 HCAR2 (0.42) MEN1KMT2AALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed