SCHEMBL7735144

SCHEMBL7735144

CC(C)c1cc(CC(=O)Nc2c(O)cccc2O)cc(C(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APP P05067 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL7724909 0.81 NLRP3 (0.48) NLRP3SMN1; SMN2GAALMNASELP
SCHEMBL6962364 0.80 MEN1 (0.50) NLRP3SMN1; SMN2GAALMNAHTT
SCHEMBL7735678 0.72 GABRA1 (0.47) GAASELPMEN1KMT2AGABRA1
SCHEMBL4323317 0.71 GSR (0.53) GAALMNAHTTMAPTGABRA1
SCHEMBL5598871 0.70 HSP90AB1 (0.59) GAALMNAHTTMEN1KMT2A
SCHEMBL8747646 0.70 GSR (0.52) GAAALDH1A1MAPTGABRA1GABRB1
SCHEMBL10732738 0.69 RAB9A (0.50) SMN1; SMN2GAALMNAMEN1KMT2A
SCHEMBL1850010 0.69 MEN1 (0.68) NLRP3SMN1; SMN2LMNAHTTMEN1
SCHEMBL9843936 0.68 SMN1; SMN2 (0.77) NLRP3SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9463074 0.67 SMN1; SMN2 (0.55) NLRP3SMN1; SMN2LMNAMEN1KMT2A

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