SCHEMBL8652699

SCHEMBL8652699

Cc1c(C)c2c(c(C)c1O)CC(CC(=O)NCCO)O2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RORC P51449 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP4 P49662 1/20 0.30
▸ CASP5 P51878 1/20 0.30

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
SCHEMBL8652066 0.93 ALOX5 (0.36) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL6885035 0.79 TSHR (0.39) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9214227 0.79 MIF (0.39) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9205106 0.76 MTNR1A (0.36) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9210153 0.76 ALOX5 (0.42) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8136061 0.76 ALOX5 (0.42) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9210232 0.73 ALOX5 (0.38) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9210238 0.73 ALOX5 (0.38) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9203503 0.73 ALOX5 (0.44) ALOX5PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8598222 0.70 ALOX5 (0.47) ALOX5PTGS1PTGS2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6234756-A — — None — — JP disclosed
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
JP-H06234756-A HYDROXYAMINE N-ACYL DERIVATIVE HAVING SCAVENGER ACTIVITY AND USEFUL IN ACUTE AND CHRONIC PATHOLOGY ASSOCIATED WITH PEROXIDATION AND INFLAMMATION PHENOMENA LIFEGROUP SPA 1994-08-23 — — JP 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
Send feedback