SCHEMBL6602164

SCHEMBL6602164

[CH2]CCCc1ccccc1SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
LMNA P02545 3/20 0.35
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
CHRM4 P08173 1/20 0.31
HTR7 P34969 1/20 0.31
P2RX7 Q99572 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7472978 0.94 CHRM2 (0.46) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL7463239 0.92 CHRM2 (0.49) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL11200374 0.81 HPGD (0.35) CHRM2ALDH1A1LMNAAPOBEC3GKDM4E
SCHEMBL10665166 0.80 CHRM2 (0.47) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL6766462 0.80 CHRM2 (0.47) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL4801748 0.79 CHRM2 (0.48) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL7710924 0.78 LIPG (0.35) SLC6A4LIPG
SCHEMBL2045886 0.76 POLB (0.52) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL8696780 0.76 CHRM2 (0.47) CHRM2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL17288665 0.76 FFAR4 (0.41) ALDH1A1L3MBTL1SLC6A2APOBEC3GHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 EP disclosed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed
US-3957928-A S-AMMONIUM-O-HYDROCARBYL-N-ACYL PHOSPHORAMIDOTHIOATE SALT PRODUCTION AND REACTION WITH ALKYLATING AGENT CHEVRON RESEARCH COMPANY (US) 1976-05-18 US disclosed