SCHEMBL6580481

SCHEMBL6580481

CCC1(C(=O)OCCCS(C)(=O)=O)CCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 1/20 0.32
NAAA Q02083 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6582737 0.79 ALDH1A1 (0.36) POLBALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL6583060 0.78 KMT2A (0.41) POLBALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL6583645 0.78 ALDH1A1 (0.35) POLBALDH1A1KMT2ANAAACYP4F2
SCHEMBL6580461 0.77 CYP4F2 (0.42) POLBALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL6582020 0.76 NPC1 (0.35) POLBALDH1A1KMT2ANAAACYP4F2
SCHEMBL17860704 0.74 ALDH1A1 (0.48) POLBALDH1A1NAAALMNA
SCHEMBL2289682 0.74 SMN1; SMN2 (0.44) POLBALDH1A1KMT2ALMNA
SCHEMBL31050190 0.73 CYP3A4 (0.39) POLBALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL16701074 0.72 CYP4F2 (0.37) POLBKMT2ACYP4F2CYP4A11
SCHEMBL7548982 0.71 CHRM2 (0.38) POLBALDH1A1KMT2ACYP4F2CYP4A11

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
EP-1154993-B1 THIOAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed