SCHEMBL27544367

SCHEMBL27544367

C1=CC(C2CCCCC2)CN1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL24690865 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7851748 0.68
SCHEMBL7853148 0.68
SCHEMBL29209802 0.68 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7853330 0.67
SCHEMBL18569941 0.63
Phosphine SCHEMBL9452572 0.62 ALDH1A1 (0.80) ALDH1A1
Biphenyl SCHEMBL1502248 0.62 ALDH1A1 (0.80) ALDH1A1
SCHEMBL1930004 0.62
SCHEMBL28453521 0.60 ALDH1A1 (0.35) 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
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 CN disclosed