SCHEMBL2503576

SCHEMBL2503576

CC(=CCC1CC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.38
ICAM1 P05362 1/20 0.36
GRIK2 Q13002 1/20 0.33
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.30
AKR1C3 P42330 1/20 0.30
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL5165178 0.92 CD81 (0.34) CD81ICAM1GRIK2ALDH1A1GABRA1
SCHEMBL222817 0.92 CD81 (0.34) CD81ICAM1GRIK2
SCHEMBL15968781 0.92 CD81 (0.34) CD81ICAM1GRIK2
SCHEMBL5003950 0.91 CD81 (0.36) CD81ICAM1GRIK2LMNAALOX5
SCHEMBL25234936 0.90 LMNA (0.38) CD81ICAM1GRIK2LMNAALOX5
SCHEMBL1770285 0.90 LMNA (0.38) CD81ICAM1GRIK2LMNAALOX5
SCHEMBL16267791 0.90 LMNA (0.38) CD81ICAM1GRIK2LMNAALOX5
SCHEMBL9090277 0.90 LMNA (0.38) CD81ICAM1GRIK2LMNAALOX5
SCHEMBL464872 0.90 LMNA (0.38) CD81ICAM1GRIK2LMNAALOX5
SCHEMBL15968695 0.87 ICAM1 (0.32) CD81ICAM1

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
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed