SCHEMBL5819587

SCHEMBL5819587

CC(=CC1CCCOC(=O)C1(C=C(C)C(=O)O)C=C(C)C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
RXRA P19793 1/20 0.30
GABRB3 P28472 1/20 0.30
RXRB P28702 1/20 0.30
GABRB2 P47870 1/20 0.30
RXRG P48443 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
SCHEMBL15753005 0.71 ALDH1A1 (0.39) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL2123282 0.70
SCHEMBL702545 0.68 ALDH1A1 (0.31) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL821141 0.67 ALDH1A1 (0.38) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL2337798 0.64 ALDH1A1 (0.41) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL703230 0.64 ALDH1A1 (0.41) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL17583228 0.64 ALDH1A1 (0.32) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL2720170 0.63 ALDH1A1 (0.33) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL261261 0.63 ALDH1A1 (0.33) ALDH1A1GABRA1TSHRGABRG2RXRA
SCHEMBL4902840 0.63 CA1 (0.34)

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
WO-2006088866-A2 BIODEGRADABLE LOAD-BEARING CARRIER FOR BONE REGENERATION INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2006-08-24 WO disclosed