SCHEMBL11794839

SCHEMBL11794839

CC(C)N1C(=O)CC2=C(CCCC2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPOX P50336 1/20 0.32

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
SCHEMBL10107048 0.78 KDM4E (0.32)
SCHEMBL11792246 0.75 ALDH1A1 (0.38) PPOX
SCHEMBL14073974 0.73
SCHEMBL11792098 0.70 PPOX (0.31) PPOX
SCHEMBL21278138 0.68 PIK3CD (0.41) GAATDP1
SCHEMBL6956406 0.67
SCHEMBL11789091 0.67 OPRL1 (0.34)
SCHEMBL21500436 0.66 PIK3CD (0.40) GAATDP1
SCHEMBL4903842 0.66 GAA (0.33) GAATDP1
SCHEMBL11794711 0.64 OPRL1 (0.40) GAA

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-3998954-A 1,3(2H,4H)-Dioxoisoquinoline-4-carboxamides used as anti-inflammatory agents PFIZER INC. (US) 1976-12-21 US disclosed