SCHEMBL6742601

SCHEMBL6742601

CCCCCC1(C)C(=O)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
CYP19A1 P11511 13/20 0.36
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 2/20 0.33

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
SCHEMBL11196330 0.81 SIRT2 (0.40) SIRT2CYP19A1ALOX5
SCHEMBL28210989 0.77 CYP1A2 (0.40)
SCHEMBL6570244 0.76 SIRT2 (0.44) SIRT2CYP19A1HSD17B10
SCHEMBL15657556 0.75 KDM4E (0.36)
SCHEMBL6535095 0.75 PTPN1 (0.33)
SCHEMBL573648 0.75 SIRT2 (0.40) SIRT2CYP19A1
SCHEMBL8622095 0.73 SIRT2 (0.45) SIRT2CYP19A1ALOX5
SCHEMBL10959932 0.73 SIRT2 (0.41) SIRT2CYP19A1ALOX5
SCHEMBL9974498 0.73 KDM4E (0.34) HSD17B10
SCHEMBL11884442 0.72 SIRT2 (0.37) SIRT2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004137228-A METHOD FOR PRODUCING 2-SUBSTITUTED-4-OXO-4, 5, 6, 7-TETRAHYDROINDOLE COMPOUND NIPPON ZEON CO LTD 2004-05-13 JP disclosed