SCHEMBL9537517

SCHEMBL9537517

O=CC1CCC2CCCCC12

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10472670 0.95
SCHEMBL9805832 0.95
SCHEMBL13591076 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1011943 0.90 ADH1A (0.33) ALDH1A1
SCHEMBL11903599 0.90 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27397046 0.89
SCHEMBL27716812 0.87 ADH1C (0.31)
SCHEMBL6856473 0.84 ADH1A (0.33)
SCHEMBL30970515 0.82
SCHEMBL11903878 0.82 EPHX1 (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
WO-1993004070-A1 SUBSTITUTED ACRYLAMIDO-PENICILLANIC ACID DERIVATIVES SMITHKLINE BEECHAM, PLC (GB) 1993-03-04 WO disclosed
EP-0421752-A2 Substituted acrylamido-penicillanic acid derivatives Beecham Group p.l.c. (GB) 1991-04-10 EP disclosed