SCHEMBL6561659

SCHEMBL6561659

C=CC(=O)OC12CC3CC(O)(C1)CC(C(=O)OC)(C3)C2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ABL1 P00519 1/20 0.31
TSHR P16473 1/20 0.31
RIN1 Q13671 1/20 0.31
GLA P06280 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
SCHEMBL6560073 0.87 HSD11B1 (0.31)
SCHEMBL1733543 0.86
SCHEMBL15100557 0.86 GLA (0.31) GLA
SCHEMBL1732421 0.85
SCHEMBL6561563 0.83
SCHEMBL513151 0.83 DPP4 (0.31)
SCHEMBL14593940 0.83 TSHR (0.42) ALDH1A1TSHR
SCHEMBL703159 0.82 ALDH1A1 (0.32) ALDH1A1ABL1TSHRRIN1
SCHEMBL6560154 0.81 GLA (0.39) ALDH1A1ABL1TSHRRIN1GLA
SCHEMBL6743137 0.80

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-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 EP disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed