SCHEMBL2822989

SCHEMBL2822989

CC#CCCOC(=O)Oc1c(C)c(C)nc2ccc(F)c(F)c12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.31
TSHR P16473 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
SCHEMBL2823162 0.89
SCHEMBL2819833 0.88 NMT2 (0.32) MMP13TSHR
SCHEMBL2820341 0.88 MMP13 (0.31) MMP13TSHR
SCHEMBL2820325 0.84 TSHR (0.40) MMP13TSHR
SCHEMBL2821980 0.83 RAB9A (0.35) MMP13TSHR
SCHEMBL2823027 0.82 MMP13 (0.32) MMP13TSHR
SCHEMBL2820531 0.81 OPRL1 (0.37) MMP13TSHR
SCHEMBL2823021 0.81 TSHR (0.31) TSHR
SCHEMBL2821657 0.80 KDM4E (0.38) MMP13TSHR
SCHEMBL2820048 0.79 MMP13 (0.37) MMP13TSHR

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-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed
US-7022855-B2 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed