SCHEMBL8399505

SCHEMBL8399505

C=C(O)C(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.46
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.36
FKBP1A P62942 1/20 0.33
CYP2C9 P11712 2/20 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
SCHEMBL21392343 0.83 HSD11B1 (0.46) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
SCHEMBL24361096 0.83 HSD11B1 (0.48) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
SCHEMBL418793 0.82 HSD11B1 (0.44) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
Methacrylic Acid SCHEMBL13504159 0.81 HSD11B1 (0.41) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
Ethane SCHEMBL27484858 0.80 HSD11B1 (0.43) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
SCHEMBL4154593 0.80 EPHX1 (0.41) HSD11B1EPHX1EPHX2
SCHEMBL7988293 0.79 HSD11B1 (0.42) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
SCHEMBL7927543 0.78 HSD11B1 (0.48) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
SCHEMBL5350579 0.78 HSD11B1 (0.52) HSD11B1EPHX1EPHX2FKBP1ACYP2C9
SCHEMBL5008276 0.77 HSD11B1 (0.45) HSD11B1EPHX1EPHX2FKBP1ACYP2C9

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
US-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed