SCHEMBL8315536

SCHEMBL8315536

CCCC1(OC(C)=O)CCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
CETP P11597 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8654847 0.87 GRIN2D (0.35) CYP19A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28827150 0.84 SIRT2 (0.40) CYP19A1CETP
SCHEMBL1254598 0.81 MAPT (0.31) CYP19A1TSHR
SCHEMBL21121157 0.74
SCHEMBL4564982 0.70 CYP19A1 (0.39) CYP19A1
SCHEMBL28240742 0.70 MEN1 (0.33) LMNATSHR
SCHEMBL25176544 0.69 CYP2C19 (0.37) CYP19A1LMNATSHR
SCHEMBL4605079 0.68 GRIN1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8978123 0.68 CETP (0.32) CETPLMNATSHR
SCHEMBL1082424 0.68 CETP (0.33) CETPGRIN2DGRIN3BGRIN1GRIN2A

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
EP-0923552-A1 PYRANOINDOLE AND CARBAZOLE INHIBITORS OF COX-2 AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
WO-1998004527-A1 PYRANOINDOLE AND CARBAZOLE INHIBITORS OF COX-2 AMERICAN HOME PRODUCTS CORPORATION (US) 1998-02-05 WO disclosed