SCHEMBL6938121

SCHEMBL6938121

COc1ccccc1C(CC(OC(=O)/C=C/C(=O)OC(CC(c1cccs1)c1ccccc1OC)N(C)C(C)C)N(C)C(C)C)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
TP53 P04637 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
POLB P06746 4/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL27596521 0.81 MEN1 (0.43) ALDH1A1MAPTPOLBTSHRMEN1
SCHEMBL6941433 0.81 MEN1 (0.39) ALDH1A1MAPTTP53POLBTSHR
Fumaric Acid SCHEMBL6938117 0.75 NPSR1 (0.45) ALDH1A1MAPTTP53NPSR1POLB
Fumaric Acid SCHEMBL6938124 0.75 NPSR1 (0.45) ALDH1A1MAPTTP53NPSR1POLB
SCHEMBL6934230 0.74 NPSR1 (0.43) ALDH1A1MAPTTP53NPSR1POLB
SCHEMBL8096745 0.72 ALDH1A1 (0.36) ALDH1A1MAPTTP53NPSR1POLB
SCHEMBL6937139 0.72 HCAR2 (0.42) ALDH1A1MAPTTP53NPSR1POLB
SCHEMBL6940949 0.72 CHRM2 (0.41) ALDH1A1MAPTTP53NPSR1POLB
Hydrochloric Acid SCHEMBL27509210 0.69 MAPT (0.43) ALDH1A1MAPTTP53NPSR1POLB
SCHEMBL4620899 0.67 SLC6A2 (0.53) KMT2AHTTCYP3A4GAA

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