SCHEMBL5780245

SCHEMBL5780245

CC1(C)COc2ccc(CCC=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.42
RARG P13631 4/20 0.42
RARA P10276 3/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
NOTUM Q6P988 2/20 0.41
RXRA P19793 1/20 0.39
BACE1 P56817 2/20 0.37
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP26A1 O43174 2/20 0.33
CYP26B1 Q9NR63 2/20 0.33
TRPV1 Q8NER1 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL5782492 0.86 RARB (0.45) RARBRARGRARAPTGS1PTGS2
SCHEMBL5780794 0.80 PTGS2 (0.44) RARBRARGRARAPTGS1PTGS2
SCHEMBL1390751 0.79 RARB (0.40) RARBRARGRARAPTGS1PTGS2
SCHEMBL10158656 0.78 NOTUM (0.47) RARBRARGRARAPTGS1PTGS2
SCHEMBL5782515 0.78 PTGS1 (0.45) RARBRARGRARAPTGS1PTGS2
SCHEMBL987764 0.77 PTGS1 (0.43) RARBRARGRARAPTGS1PTGS2
SCHEMBL5781680 0.77 TP53 (0.41) RARBRARGRARAPTGS1PTGS2
SCHEMBL506223 0.76 NOTUM (0.46) RARBRARGRARAPTGS1PTGS2
SCHEMBL3550976 0.76 RARB (0.47) RARBRARGRARAPTGS1PTGS2
SCHEMBL13318332 0.76 NOTUM (0.46) RARBRARGRARAPTGS1PTGS2

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-1487446-A4 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-19 EP disclosed
EP-1487446-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego, Inc. (US) 2004-12-22 EP disclosed
WO-2003075858-A2 BICYCLIC HETEROCYCLES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO disclosed