SCHEMBL2492273

SCHEMBL2492273

O=S(=O)(O)CCC1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
EPHX1 P07099 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL2518041 1.00 HPGD (0.39) HPGDCYP1A2METAP1SIGMAR1EPHX1
SCHEMBL4072061 0.98 ALDH1A1 (0.37) HPGDCYP1A2METAP1SIGMAR1EPHX1
SCHEMBL6584519 0.95 ALDH1A1 (0.36) HPGDCYP1A2METAP1SIGMAR1EPHX1
SCHEMBL9320849 0.93 PTGS1 (0.36) HPGDCYP1A2METAP1SIGMAR1EPHX1
SCHEMBL8078390 0.87
SCHEMBL4896518 0.86 CYP1A2 (0.46) HPGDCYP1A2METAP1SIGMAR1EPHX1
Ammonia Solution, Strong SCHEMBL8491678 0.85 CYP1A2 (0.45) HPGDCYP1A2METAP1SIGMAR1EPHX1
SCHEMBL8322595 0.85 SIGMAR1 (0.47) CYP1A2SIGMAR1EPHX1
SCHEMBL355314 0.85 SIGMAR1 (0.47) CYP1A2SIGMAR1EPHX1
SCHEMBL6114858 0.84 CYP1A2 (0.43) HPGDCYP1A2SIGMAR1EPHX1ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379071-B1 NOVEL ALIPHATICALLY SUBSTITUTED PYRAZOLOPYRIDINES, AND THE USE THEREOF BAYER IP GMBH (DE) 2013-05-08 EP disclosed
EP-2379071-A2 NOVEL ALIPHATICALLY SUBSTITUTED PYRAZOLOPYRIDINES, AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-10-26 EP disclosed
WO-2010078900-A2 NOVEL ALIPHATICALLY SUBSTITUTED PYRAZOLOPYRIDINES, AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed
EP-2024361-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF Bayer HealthCare AG (DE) 2009-02-18 EP disclosed
EP-2013205-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES Bayer HealthCare AG (DE) 2009-01-14 EP disclosed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 WO disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 WO disclosed
EP-0956294-B1 THROMBIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-06-09 EP disclosed
EP-1169318-A1 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
EP-1165601-A2 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
EP-0918792-B1 DIPEPTIDE BENZAMIDINE AS A KININOGENASE INHIBITOR BASF AG (DE) 2000-09-27 EP disclosed
EP-0956294-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-11-17 EP disclosed
WO-1999037668-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
WO-1999037611-A1 HETEROCYCLIC AMIDINES AS CALLICREIN PROTEASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
EP-0918792-A1 DIPEPTIDE BENZAMIDINE AS A KININOGENASE INHIBITOR BASF AKTIENGESELLSCHAFT (DE) 1999-06-02 EP disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1998006741-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed
WO-1998006740-A1 DIPEPTIDE BENZAMIDINE AS A KININOGENASE INHIBITOR BASF AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed