SCHEMBL7169255

SCHEMBL7169255

COc1ccc2cc(CC(C)C(O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.40
CYP19A1 P11511 1/20 0.37
PTGS1 P23219 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTPN1 P18031 1/20 0.36
ACSS2 Q9NR19 2/20 0.35

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
SCHEMBL5682208 0.79 AKR1C3 (0.40) SIRT2PTGS1AKR1C3AKR1C2ACSS2
SCHEMBL5749684 0.75 AKR1C3 (0.37) SIRT2PTGS1AKR1C3AKR1C2ACSS2
SCHEMBL5748920 0.75 PTGS2 (0.38) SIRT2PTGS1AKR1C3AKR1C2ACSS2
SCHEMBL7817690 0.74 AKR1C3 (0.36) SIRT2PTGS1AKR1C3AKR1C2ACSS2
SCHEMBL7809863 0.74 PTGS2 (0.36) SIRT2PTGS1AKR1C3AKR1C2ACSS2
SCHEMBL7817687 0.73 LMNA (0.36) SIRT2PTGS1AKR1C3AKR1C2ACSS2
SCHEMBL4025463 0.73 CYP11B1 (0.39) SIRT2
SCHEMBL7826102 0.72 SRC (0.36) SIRT2CYP19A1ACSS2
SCHEMBL7818117 0.72 SIRT2 (0.44) SIRT2CYP19A1
SCHEMBL14249050 0.72 SIRT2 (0.40) SIRT2ACSS2

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
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 US disclosed