SCHEMBL12646231

SCHEMBL12646231

CC1CC(=O)C(CC(N)=O)C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.31
FKBP1A P62942 1/20 0.31
EPHX1 P07099 1/20 0.30
APEX1 P27695 1/20 0.30
BLM P54132 1/20 0.30
RECQL P46063 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
SCHEMBL11042273 0.82 ITGB3 (0.39) TLR4
SCHEMBL6440187 0.73
SCHEMBL2684077 0.68 MME (0.36)
SCHEMBL27705954 0.68 RECQL (0.33) RECQL
SCHEMBL7622428 0.67 MEN1 (0.34) TLR4
SCHEMBL7619973 0.67 FAAH (0.34)
Hydrochloric Acid SCHEMBL27916784 0.66
SCHEMBL19831660 0.64 CYP1A2 (0.39)
SCHEMBL12646186 0.64 ALOX15 (0.31)
SCHEMBL13236674 0.64 AKR1C4 (0.40)

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
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed