SCHEMBL7334408

SCHEMBL7334408

O=C(Cc1ccc(C(F)(F)F)cc1)OCN1C(=O)C2=C(C3CCC2C3)S1(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.55
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
OPRD1 P41143 1/20 0.34
CNR1 P21554 1/20 0.34
STS P08842 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL8608790 0.85 ELANE (0.56) ELANEPOLBALDH1A1
SCHEMBL7330922 0.69 ELANE (0.59) ELANEPOLBKDM4E
SCHEMBL7337789 0.69 ELANE (0.38) ELANECA12CA9POLBKDM4E
SCHEMBL8940425 0.68 ELANE (0.37) ELANEPOLBKDM4EALDH1A1
SCHEMBL8613910 0.67 TPSAB1 (0.42) ELANEPOLBKDM4EALDH1A1
SCHEMBL8866035 0.64 ELANE (0.88) ELANE
SCHEMBL1045007 0.63 MAPT (0.56) POLBPPARGPPARAKDM4EALDH1A1
SCHEMBL18134730 0.61 PIK3CA (0.42) OPRD1CNR1SIGMAR1
SCHEMBL19465686 0.61 P2RX7 (0.44) OPRD1STSSIGMAR1KDM4EALDH1A1
SCHEMBL22541478 0.61 CYP1A1 (0.45) PPARGPPARAALDH1A1

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-5783589-A 2-saccharinylmethyl aryl and arloxy acetates useful as proteolytic enzyme inhibitors and compositions and method of use thereof SANOFI (FR) 1998-07-21 US disclosed
US-5489604-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP, INC. (US) 1996-02-06 US disclosed
US-5385923-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-01-31 US disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed