SCHEMBL9504752

SCHEMBL9504752

CC(=O)C12CC3CC(CC(C3)C1(C(C)=O)C(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
EPHX2 P34913 6/20 0.39
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL31666231 0.73 EPHX1 (0.35) EPHX1EPHX2KMT2ASMN1; SMN2GAA
SCHEMBL5567370 0.72 EPHX2 (0.40) EPHX1EPHX2KMT2ASMN1; SMN2GAA
SCHEMBL4582380 0.72 EPHX2 (0.40) EPHX1EPHX2GAAALDH1A1
SCHEMBL29837434 0.71 HSD11B1 (0.39) EPHX1EPHX2GAAALDH1A1
SCHEMBL3242289 0.71 HSD11B1 (0.39) EPHX1EPHX2GAAALDH1A1
SCHEMBL5832574 0.71 EPHX2 (0.39) EPHX1EPHX2ALDH1A1SIGMAR1
SCHEMBL6859448 0.71 EPHX2 (0.39) EPHX1EPHX2KMT2AGAAALDH1A1
SCHEMBL4217116 0.69 THRB (0.35) EPHX1EPHX2SMN1; SMN2GRIN2DGRIN3B
SCHEMBL5285298 0.69 THRB (0.39) EPHX1EPHX2SMN1; SMN2GRIN2DGRIN3B
SCHEMBL5248488 0.68 THRB (0.36) EPHX1EPHX2GAAALDH1A1

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-0554244-A1 ADAMANTANE POLYMERIC COMPOSITIONS MOBIL OIL CORPORATION (US) 1993-08-11 EP disclosed
WO-1992007018-A1 ADAMANTANE POLYMERIC COMPOSITIONS MOBIL OIL CORPORATION (US) 1992-04-30 WO disclosed
US-5053434-A Diamondoid polymeric compositions MOBIL OIL CORPORATION (US) 1991-10-01 US disclosed