SCHEMBL6930616

SCHEMBL6930616

CC(=O)N1CC(=S)C[C@H]1C(=O)O.C[C@](N)(Cc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.35
MAPT P10636 2/20 0.31
PTK2B Q14289 1/20 0.31
POLB P06746 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
ADRA1A P35348 1/20 0.31
PTGS2 P35354 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL6933966 0.84 ITGB1 (0.37) KMT2ANPC1RAB9APRSS1TMPRSS15
SCHEMBL6930976 0.83 BLM (0.35) BLMMAPTPTK2BPOLBTDP1
SCHEMBL6931396 0.77 SLC7A5 (0.34) POLBTDP1L3MBTL1PRSS1TMPRSS15
SCHEMBL7902836 0.76 ITGA4 (0.35) PRSS1TMPRSS15
SCHEMBL8200203 0.73 TPH1 (0.38)
SCHEMBL6931447 0.71 CTSL (0.40) PRSS1TMPRSS15
SCHEMBL7905098 0.69 ITGB1 (0.50)
SCHEMBL6932583 0.68 PTPN1 (0.46) MEN1KMT2A
SCHEMBL6930981 0.67 ITGB1 (0.39)
SCHEMBL6934284 0.67 ITGA4 (0.38)

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
EP-0984981-B1 ANTI-INFLAMMATORY TYROSINE DERIVATIVES CELLTECH THERAPEUTICS LTD (GB) 2003-12-17 EP disclosed
US-6093696-A N-ACETYL-D-THIOPROLINE-(O-2,6-DICHLOROBENZYL)-L-TYROSINE, FOR EXAMPLE; SELECTIVELY INHIBIT THE ALPHA 4 SUBGROUP OF INTEGRINS FROM BINDING TO THEIR LIGANDS; USE IN PROPHYLAXIS OR TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed