SCHEMBL14114331

SCHEMBL14114331

CCC(C)(C)C(=O)OCCN(C)C(=O)C1CCCCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.37
CHRM4 P08173 6/20 0.37
CHRM1 P11229 6/20 0.37
CHRM3 P20309 6/20 0.37
ALDH1A1 P00352 1/20 0.37
HMGCR P04035 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL14008114 0.84 HMGCR (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL10110669 0.84 POLB (0.34) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL749914 0.80 FKBP1A (0.39) HMGCR
SCHEMBL14032716 0.80 RIPK1 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL15197227 0.77 FKBP1A (0.43) CHRM2CHRM4CHRM1CHRM3HMGCR
SCHEMBL1104059 0.77 FKBP1A (0.43) CHRM2CHRM4CHRM1CHRM3HMGCR
SCHEMBL13219593 0.77 RIPK1 (0.40) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL10110671 0.77 CTSB (0.37)
SCHEMBL2681415 0.77 FKBP1A (0.38) HMGCR
SCHEMBL10123438 0.76 FKBP1A (0.37) HMGCR

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-20080182202-A1 Planographic printing plate material and resin used therein KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-31 US disclosed