SCHEMBL7434768

SCHEMBL7434768

CCOC(=O)C(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
NHERF1 O14745 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28119887 0.86 LMNA (0.47) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL2117704 0.85 KMT2A (0.49) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL8249383 0.83 MAPT (0.43) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL22230701 0.83 MAPT (0.43) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL10652250 0.83 LMNA (0.61) MAPTALDH1A1LMNANPSR1SLC6A3
SCHEMBL691016 0.83 MAPT (0.46) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL5866532 0.82 KMT2A (0.57) MAPTKMT2AALDH1A1MEN1LMNA
SCHEMBL4370180 0.81 MAPT (0.44) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL10275760 0.80 GSK3B (0.53) MAPTKMT2AALDH1A1MEN1SLC6A3
SCHEMBL28908332 0.80 MAPT (0.41) MAPTKMT2AALDH1A1HPGDMEN1

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
US-5891899-A Pharmaceutical xanthene compounds ELI LILLY AND COMPANY LIMITED (GB) 1999-04-06 US disclosed
EP-0849263-A2 Pharmaceutical substituted propanoic acid derivatives ELI LILLY AND COMPANY LIMITED (GB) 1998-06-24 EP disclosed