SCHEMBL8663182

SCHEMBL8663182

CCCNC(=O)O.Cc1c(C)c2c(c(C)c1O)CCC(C)O2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CAPN1 P07384 1/20 0.34
ACHE P22303 8/20 0.33
MAOB P27338 1/20 0.33
PKM P14618 1/20 0.33
ALOX5 P09917 7/20 0.33
BCHE P06276 7/20 0.32
NR1I2 O75469 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
SCHEMBL13309507 0.82 ALOX5 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL31314432 0.82 ALOX5 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1567962 0.82 ALOX5 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL29483920 0.82 ALOX5 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL11750965 0.82 ALOX5 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL30892599 0.81 ALOX5 (0.40) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9279386 0.76 PTGS1 (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL25015606 0.71 PTGS1 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8649723 0.71 PTGS1 (0.47) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059215 0.69 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR

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
EP-0604995-B1 Hydroxyamines N-acyl derivatives having scavenger activity and useful in acute and chronic pathologies associated with peroxidation and inflammation phenomena LIFEGROUP SPA (IT) 1998-09-30 EP disclosed
US-5480645-A Hydroxyamines N-acyl derivatives having scavenger activity and useful in acute and chronic pathologies associated with peroxidation and inflammation phenomena LIFEGROUP S.P.A. (IT) 1996-01-02 US disclosed
EP-0604995-A1 Hydroxyamines N-acyl derivatives having scavenger activity and useful in acute and chronic pathologies associated with peroxidation and inflammation phenomena LIFEGROUP S.p.A. (IT) 1994-07-06 EP disclosed