SCHEMBL4657489

SCHEMBL4657489

O=C(O)CC(O)(C(=O)O)C(O[Al])C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.53
CPT2 P23786 1/20 0.53
HSPD1 P10809 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2183672 0.80 ACLY (0.53) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL8567208 0.77 CPT2 (0.50) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL8439897 0.77 ACLY (0.55) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL6650860 0.74 CPT2 (0.47) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL11066096 0.74 CPT2 (0.47) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL1672954 0.72 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2190166 0.72 ACLY (0.64) ACLYCPT2HSPD1BLMHSPE1
Water SCHEMBL8023706 0.71 ACLY (0.57) ACLYCPT2HSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL11158969 0.71 ACLY (0.57) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL11063295 0.71 ACLY (0.57) ACLYCPT2HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918456-A1 Method of producing a fibrous web containing fillers M-real Oyj (FI) 2008-05-07 EP disclosed
US-4710270-A Paper making process utilizing fillers with hardened envelopes of cationic starch SUNDEN OLOF (FR) 1987-12-01 US disclosed