SCHEMBL4598987

SCHEMBL4598987

CCC1CC[CH]C(CO)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL6437989 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9979414 0.85
SCHEMBL21085086 0.75 SLC6A12 (0.36) ALDH1A1
SCHEMBL28018997 0.75 EPHX1 (0.33) ALDH1A1
SCHEMBL906523 0.74
SCHEMBL1929763 0.74
SCHEMBL28560664 0.74
SCHEMBL7115786 0.72
SCHEMBL21085148 0.72 HSD17B10 (0.30) ALDH1A1
SCHEMBL8535090 0.71

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
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed