SCHEMBL2484706

SCHEMBL2484706

O=C(O)CC(O)(C(=O)O)C(CCC(O)(O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.60
BLM P54132 1/20 0.60
HSPE1 P61604 1/20 0.60
ACLY P53396 5/20 0.52
CPT2 P23786 1/20 0.52
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.37
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL4060328 0.82 HSPD1 (0.62) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL9484647 0.81 HSPD1 (0.75) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL11584543 0.79 ACLY (0.59) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL31648559 0.79 BLM (0.63) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL3713420 0.79 HSPD1 (0.68) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL10354206 0.78 BLM (0.66) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL747934 0.78 HSPD1 (0.87) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL20853635 0.78 HSPD1 (0.61) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL723184 0.78 ACLY (0.57) HSPD1BLMHSPE1ACLYCPT2
SCHEMBL9491196 0.77 HSPD1 (0.97) HSPD1BLMHSPE1ACLYCPT2

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
EP-1505946-B2 COSMETIC PREPARATION SCHWAN STABILO COSMETICS GMBH (DE) 2011-10-19 EP disclosed
EP-1505946-B1 COSMETIC PREPARATION SCHWAN STABILO COSMETICS GMBH (DE) 2007-07-25 EP disclosed
EP-1505946-A1 COSMETIC PREPARATION Schwan-STABILO Cosmetics GmbH & Co. (DE) 2005-02-16 EP disclosed
WO-2003094868-A1 COSMETIC PREPARATION SCHWAN-STABILO COSMETICS GMBH & CO (DE) 2003-11-20 WO disclosed