SCHEMBL9628652

SCHEMBL9628652

CC(=O)Oc1nc(-c2ccc(C(=O)O)cc2)sc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.62
RARG P13631 3/20 0.62
RARA P10276 2/20 0.62
ALOX5 P09917 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NLRP1 Q9C000 1/20 0.55
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL3798800 0.87 ALOX5 (0.56) RARBRARGRARAALOX5MEN1
SCHEMBL7823497 0.87 ALOX5 (0.73) RARBRARGRARAALOX5MEN1
SCHEMBL9628036 0.86 KMT2A (0.67) RARBRARGRARAALOX5MEN1
SCHEMBL9630614 0.79 KDM4E (0.72) RARBRARGRARAMEN1KMT2A
SCHEMBL4190297 0.76 RARB (0.83) RARBRARGRARAMEN1KMT2A
SCHEMBL4190212 0.76 RARB (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL4597544 0.76 RARB (0.98) RARBRARGRARAMEN1KMT2A
SCHEMBL9555334 0.74 ALOX5 (0.52) RARBRARGRARAALOX5MEN1
SCHEMBL4188775 0.74 RARB (1.00) RARBRARGRARAHRH3
SCHEMBL15349239 0.74 RARB (0.61) RARBRARGRARAMEN1KMT2A

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
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A4 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS 1991-12-04 EP disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 WO disclosed