SCHEMBL11041019

SCHEMBL11041019

CCCC[CH]OC(=O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.40
ALDH1A1 P00352 1/20 0.37
PRKCA P17252 2/20 0.37
EPHX1 P07099 9/20 0.36
EPHX2 P34913 2/20 0.35
CTSK P43235 1/20 0.34

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
SCHEMBL11037984 0.95 NAAA (0.42) NAAAPRKCAEPHX1EPHX2
SCHEMBL449505 0.89 ALDH1A1 (0.39) NAAAALDH1A1PRKCAEPHX1
SCHEMBL8584525 0.87 ALDH1A1 (0.41) NAAAALDH1A1PRKCAEPHX1
SCHEMBL450922 0.87 ALDH1A1 (0.41) NAAAALDH1A1PRKCAEPHX1
SCHEMBL8694303 0.85 SMN1; SMN2 (0.37) NAAAALDH1A1PRKCAEPHX1
SCHEMBL453057 0.81 ALDH1A1 (0.41) NAAAALDH1A1
SCHEMBL6247310 0.81 MAPT (0.33) ALDH1A1
SCHEMBL148327 0.79 ALDH1A1 (0.44) NAAAALDH1A1EPHX1
SCHEMBL8582637 0.79 ALDH1A1 (0.44) NAAAALDH1A1EPHX1
SCHEMBL3152795 0.77 SMN1; SMN2 (0.39) ALDH1A1

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-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 US disclosed