SCHEMBL12468650

SCHEMBL12468650

CC(C)(OC1CC/C=C\CCC1)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.30
MAPK14 Q16539 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL12468653 1.00 MAPK1 (0.30) MAPK1MAPK14PTGS1PTGS2
SCHEMBL15131943 1.00 MAPK1 (0.30) MAPK1MAPK14PTGS1PTGS2
SCHEMBL14960420 0.80 TSHR (0.35)
SCHEMBL3668341 0.77
SCHEMBL3668343 0.77
SCHEMBL17701515 0.77
SCHEMBL26568342 0.77
SCHEMBL27407126 0.74
SCHEMBL30841891 0.74 ATM (0.31)
SCHEMBL15131938 0.74 ATM (0.31)

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
EP-2627358-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN Koninklijke Philips Electronics N.V. (NL) 2013-08-21 EP disclosed
WO-2012049624-A1 PRETARGETING KIT, METHOD AND AGENTS USED THEREIN KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-04-19 WO disclosed