SCHEMBL8660209

SCHEMBL8660209

COC(=O)c1c(C(=O)O)cc(C(=O)c2ccc(C)c(C)c2)c(C(=O)O)c1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 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
SCHEMBL5965482 0.83 AKR1C3 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL14972621 0.77 MCL1 (0.47) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL1786654 0.75 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL31333081 0.75 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL4842280 0.73 ALDH1A1 (0.63) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL27320319 0.73 MEN1 (0.44) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL1538357 0.72 ALDH1A1 (0.71) ALDH1A1MAPTLMNATDP1MEN1
SCHEMBL8674887 0.72 TSHR (0.53) ALDH1A1MAPTLMNAMEN1RAB9A
SCHEMBL30029511 0.72 MAPT (0.63) ALDH1A1MAPTLMNATDP1GAA
SCHEMBL35783 0.72 MAPT (0.63) ALDH1A1MAPTLMNATDP1GAA

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-0656028-B1 PREPARATION OF VINYL ETHER TERMINATED ESTER OLIGOMERS ALLIED SIGNAL INC (US) 1998-11-04 EP disclosed
EP-0656028-A1 PREPARATION OF VINYL ETHER TERMINATED ESTER OLIGOMERS AlliedSignal Inc. (US) 1995-06-07 EP disclosed
WO-1994004594-A1 PREPARATION OF VINYL ETHER TERMINATED POLYESTERS ALLIED-SIGNAL INC. (US) 1994-03-03 WO disclosed
US-5286835-A Reacting polyol with vinyl ether terminated polybasic ester in presence of transesterification catalyst, separating by-product hydroxy monovinyl ether as formed ALLIED-SIGNAL INC. (US) 1994-02-15 US disclosed