SCHEMBL8300407

SCHEMBL8300407

CCOC(=O)c1ccc(CS[C@@H]2CC(=O)N2CC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.40
HSP90AA1 P07900 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL8603296 0.78 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL8440478 0.76 ALDH1A1 (0.41) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL8622466 0.75 HTR7 (0.40) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL8301620 0.73 CA12 (0.45) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL8438716 0.72 MAPT (0.43) TSHRSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8439708 0.70 SIGMAR1 (0.51) ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL8442811 0.69 SNCA (0.37) ALDH1A1TSHRHTTMEN1KMT2A
SCHEMBL8812272 0.69 SNCA (0.37) ALDH1A1TSHRMEN1KMT2A
SCHEMBL8375988 0.69 RAB9A (0.47) ALDH1A1TSHRHTTSMN1; SMN2MEN1
SCHEMBL27729402 0.68 CA1 (0.59) ALDH1A1TSHRHTTSMN1; SMN2MEN1

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-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
EP-0869943-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-10-14 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
WO-1997021675-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed