SCHEMBL9570526

SCHEMBL9570526

O=C(O)CCC1(CCC(=O)O)CCC(CCC(=O)O)(CCC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
EGLN1 Q9GZT9 4/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 3/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRR1 P24046 1/20 0.35
APEX1 P27695 2/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32

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
SCHEMBL28945842 0.80 LMNA (0.36) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL25660465 0.80 LMNA (0.32) LMNAEGLN1ALKBH5SUCNR1SLC15A2
SCHEMBL15538586 0.79 LMNA (0.46) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL17188681 0.78 FFAR3 (0.46) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL3402007 0.73 ALDH1A1 (0.57) LMNATSHRUSP2ALDH1A1CYP1A2
SCHEMBL13563890 0.73 ALDH1A1 (0.52) LMNAEGLN1ALKBH5SUCNR1TSHR
SCHEMBL2443279 0.72 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL5903128 0.72 FFAR4 (0.43) SLC22A6CYP1A2KDM2A
Hydrochloric Acid SCHEMBL2203240 0.72 LMNA (0.33) LMNAEGLN1ALKBH5SUCNR1SLC22A6
SCHEMBL21858440 0.72 TSHR (0.41) LMNAEGLN1ALKBH5SUCNR1SLC22A6

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
JP-5295238-A None JP disclosed
JP-H05295238-A SOLID COMPOSITION OF POLYGLYCIDYL COMPOUND HAVING MOLECULAR WEIGHT OF LESS THAN 1,500 CIBA GEIGY AG 1993-11-09 JP disclosed
US-4107165-A ANTICOAGULANTS ENDO LABORATORIES (US) 1978-08-15 US disclosed