SCHEMBL7735164

SCHEMBL7735164

CS(=O)(=O)OCCCc1cc(Cl)cc2nc(Cc3ccccc3Cl)oc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.35
PTGER1 P34995 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 10/20 0.32
MTNR1B P49286 10/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTK2 Q05397 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
APLNR P35414 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
SCHEMBL7737657 0.89 MTNR1A (0.43) PTGER1MTNR1AMTNR1B
SCHEMBL7734094 0.87 MEN1 (0.39) NLRP3LMNAMAPTMTNR1AMTNR1B
SCHEMBL7734337 0.82 NLRP3 (0.36) NLRP3LMNAMAPTMTNR1AMTNR1B
SCHEMBL7734700 0.80 NLRP3 (0.35) NLRP3LMNAMAPTMTNR1AMTNR1B
SCHEMBL7734340 0.77 ATM (0.41) NLRP3PTGER1LMNAMAPTAKR1B1
SCHEMBL5098194 0.76 ALDH1A1 (0.45) LMNAKDM4EALDH1A1
SCHEMBL7733885 0.74 ESR1 (0.39) NLRP3LMNAMAPTAKR1B1KDM4E
SCHEMBL7724834 0.73 L3MBTL1 (0.39) NLRP3LMNAMAPTAKR1B1KDM4E
SCHEMBL7734093 0.73 SIRT2 (0.37) MAPTMTNR1AMTNR1BAKR1B1SSTR2
SCHEMBL7734855 0.70 SIRT2 (0.34) MTNR1AMTNR1BAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed