SCHEMBL9628036

SCHEMBL9628036

COC(=O)c1ccc(-c2nc(OC(C)=O)c(C)s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 5/20 0.67
MAPT P10636 5/20 0.67
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.67
GAA P10253 1/20 0.67
POLB P06746 1/20 0.57
NLRP1 Q9C000 1/20 0.56
ALOX5 P09917 1/20 0.50
RARB P10826 4/20 0.47
RARA P10276 2/20 0.47
RARG P13631 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KLK7 P49862 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL9628652 0.86 RARB (0.62) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3798800 0.84 ALOX5 (0.56) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL27496708 0.82 KMT2A (0.64) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7823497 0.81 ALOX5 (0.73) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4186122 0.80 KDM4E (1.00) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL13801095 0.76 KDM4E (0.68) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9620801 0.74 LMNA (0.51) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9555334 0.72 ALOX5 (0.52) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7324615 0.71 CA1 (0.65) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL13442817 0.71 MAPT (0.60) KMT2AMEN1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed