SCHEMBL7983423

SCHEMBL7983423

CC1(C)C(C(=O)O)C1(F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
FFAR3 O14843 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL221717 0.72 APLNR (0.41) APLNRFFAR3
Methane SCHEMBL3337389 0.69 APLNR (0.39) APLNRFFAR3
Hydrochloric Acid SCHEMBL8617904 0.69 APLNR (0.39) APLNRFFAR3
SCHEMBL11321430 0.69 APLNR (0.35) APLNRFFAR3
SCHEMBL29200814 0.69 MAPK1 (0.41) APLNRFFAR3
SCHEMBL5461432 0.68 APLNR (0.31) APLNR
SCHEMBL284401 0.67 APLNR (0.38) APLNRFFAR3
SCHEMBL5455676 0.67 MAPK1 (0.35) APLNRKDM4E
SCHEMBL2880099 0.67 APLNR (0.33) APLNRFFAR3
SCHEMBL11131650 0.67 APLNR (0.33) APLNRFFAR3

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-6176094-B1 COMPOSED OF A BASE OIL AS A MAIN COMPONENT CONTAINING A SINGLE COMPONENT OF A COMPOUND OR A MIXTURE OF COMPOUNDS SELECTED FROM THE GROUP CONSISTING OF CYCLIC CARBONATES AND ALIPHATIC CARBONATE DERIVATIVES HITACHI, LTD. (JP) 2001-01-23 US disclosed