SCHEMBL8563453

SCHEMBL8563453

CC(C)C[C@@H](CN1CCOCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.54
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSL P07711 4/20 0.41
CTSB P07858 3/20 0.41
CD274 Q9NZQ7 1/20 0.41
AAK1 Q2M2I8 4/20 0.41
CTSS P25774 3/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CAPN1 P07384 1/20 0.39

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
SCHEMBL30536641 0.88 CTSK (0.47) CTSKALDH1A1CA1CA2CA7
SCHEMBL1414331 0.84 CTSK (0.43) CTSKALDH1A1CA1CA2CA7
SCHEMBL17828217 0.84 CTSK (0.43) CTSKALDH1A1CTSLCTSBCD274
SCHEMBL1414330 0.84 CTSK (0.43) CTSKALDH1A1CA1CA2CA7
SCHEMBL13994293 0.84 CHRM5 (0.41) CTSKCA1CA2CA7CTSL
SCHEMBL12260408 0.83 CTSK (0.49) CTSKALDH1A1CA1CA2CA7
SCHEMBL2255069 0.83 CTSK (0.49) CTSKALDH1A1CA1CA2CA7
SCHEMBL357027 0.83 CTSK (0.49) CTSKALDH1A1CA1CA2CA7
SCHEMBL8234411 0.81 CTSK (0.44) CTSKALDH1A1CA2CTSLCTSB
SCHEMBL13994318 0.80 HRH2 (0.40) CTSKALDH1A1CA1CA2CA7

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-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed