SCHEMBL9485960

SCHEMBL9485960

CCCCC(O)(O)C(=O)OO

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.35
FDPS P14324 8/20 0.34
GGPS1 O95749 4/20 0.34
SMPD1 P17405 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL5676290 0.91 SMPD1 (0.44) FDPSGGPS1SMPD1MEN1MAPT
SCHEMBL31236180 0.82 USP2 (0.39) PAMFDPSGGPS1SMPD1ALDH1A1
SCHEMBL15821368 0.80 AR (0.36) FDPSGGPS1SMPD1MEN1MAPT
SCHEMBL27614308 0.79 CYP4F2 (0.38) PAMFDPSALDH1A1MEN1MAPT
SCHEMBL23151998 0.78 DGAT1 (0.39) PAMFDPSGGPS1SMPD1MEN1
SCHEMBL15820331 0.78 CYP4F2 (0.35) FDPSGGPS1SMPD1MEN1MAPT
SCHEMBL474944 0.77 CYP4F2 (0.46) FDPSALDH1A1MEN1MAPTKMT2A
SCHEMBL1070336 0.76 TP53 (0.36) FDPSSMPD1MEN1MAPTKMT2A
SCHEMBL28545453 0.76 CYP4F2 (0.44) PAMFDPSALDH1A1MEN1MAPT
SCHEMBL27519808 0.76 CYP4F2 (0.48) PAMFDPSALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496836-A4 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS 1993-05-05 EP claimed
EP-0496836-A1 SYNTHESIS AND USE OF AMINO ACID FLUORIDES AS PEPTIDE COUPLING REAGENTS. RES CORP TECHNOLOGIES INC (US) 1992-08-05 EP claimed
CN-101327335-A Use of 3-hydroxy butanoic acid, 4-hydroxy butanoic acid and 3-hydroxyhexanoic acid co-polymer as tissue engineering material UNIV SHANTOU (CN) 2008-12-24 CN disclosed