SCHEMBL5873985

SCHEMBL5873985

CCCCC(O)(O)OC(=O)OC(O)(O)CCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.35
GGPS1 O95749 6/20 0.35
SMPD1 P17405 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11591441 0.85 FDPS (0.37) FDPSALDH1A1
SCHEMBL5873986 0.84 AKR1B1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL27688964 0.84 ALDH1A1 (0.43) FDPSGGPS1SMPD1CES2CES1
SCHEMBL27813236 0.78 FDPS (0.37) FDPSCES2CES1ALDH1A1MEN1
SCHEMBL27981471 0.77 FDPS (0.42) FDPSGGPS1SMPD1CES2ALDH1A1
SCHEMBL8084370 0.77 TSHR (0.47) FDPSGGPS1SMPD1CES1ALDH1A1
SCHEMBL11619204 0.77 LMNA (0.53) CES2CES1ALDH1A1MEN1MAPT
SCHEMBL8089327 0.77 TSHR (0.50) ALDH1A1ATM
Ether SCHEMBL8518047 0.77 PAM (0.32) SMPD1CES2CES1KMT2AL3MBTL1
SCHEMBL608105 0.76 CA1 (0.38) FDPSCES2CES1ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091302-B2 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG (DE) 2006-08-15 US disclosed
US-20050239995-A1 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG 2005-10-27 US disclosed
US-4191705-A Process for the preparation of carbonic acid esters of polyester-polyols BAYER AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
US-4191705-A Process for the preparation of carbonic acid esters of polyester-polyols BAYER AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed