SCHEMBL25285334

SCHEMBL25285334

CCCCCCC(CCC)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.47
HSPD1 P10809 1/20 0.47
HSPE1 P61604 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 4/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 5/20 0.39
MAPT P10636 4/20 0.39
GMNN O75496 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 2/20 0.38
HSP90AA1 P07900 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL27559042 0.97 BLM (0.49) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL28532554 0.97 BLM (0.49) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL4277990 0.97 BLM (0.49) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL5155110 0.97 BLM (0.49) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL93741 0.97 BLM (0.49) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL6151112 0.96 BLM (0.48) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL28661515 0.94 ALDH1A1 (0.44) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL17541718 0.94 BLM (0.46) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL29099167 0.90 MAPT (0.48) BLMHSPD1HSPE1MEN1KMT2A
SCHEMBL722608 0.90 BLM (0.44) BLMHSPD1HSPE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059223-B1 Preparation of ester mixtures EVONIK OPERATIONS GMBH (DE) 2023-06-28 EP disclosed