SCHEMBL8145291

SCHEMBL8145291

COC(=O)CSc1ccc(O)cc1SCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
PRNP P04156 1/20 0.45
PTPN1 P18031 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
SCHEMBL8147865 0.77 MAPT (0.62) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL6239095 0.77 MAPT (0.54) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL8153543 0.75 HSD17B10 (0.63) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL8147119 0.75 MAPT (0.64) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL8147162 0.75 LMNA (0.54) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL8144828 0.74 HSD17B10 (0.66) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL8146166 0.73 ALDH1A1 (0.58) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL3687042 0.72 ALDH1A1 (0.49) HSD17B10POLBALDH1A1HPGDMAPT
SCHEMBL9006558 0.72 CA12 (0.51) HSD17B10ALDH1A1HPGDMAPTGAA
SCHEMBL11862448 0.72 CA12 (0.51) HSD17B10ALDH1A1HPGDKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028090-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-22 US disclosed
US-5723480-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-03 US disclosed
US-5561148-A Adhesion receptor antagonists III MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed