SCHEMBL4739089

SCHEMBL4739089

COC(=O)c1c([Na])c(-c2ccccc2)c(C(=O)OC)c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 2/20 0.42
AR P10275 1/20 0.42
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
PRKCZ Q05513 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4740265 0.90 LMNA (0.47) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL6256131 0.90 LMNA (0.47) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL472647 0.90 LMNA (0.47) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL472552 0.79 LMNA (0.47) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL4739070 0.76 ALDH1A1 (0.52) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL472568 0.76 SLC6A3 (0.46) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4739961 0.75 CA1 (0.39) LMNAALDH1A1TP53HTTMEN1
SCHEMBL4736926 0.74 LMNA (0.44) LMNAALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL11227892 0.72 LMNA (0.64) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL4739083 0.72 CNR2 (0.46) LMNAALDH1A1SMN1; SMN2RAB9ATP53

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
WO-2008085852-A1 USE OF COPOLYMERIZABLE SULFONATE SALTS TO PROMOTE CHAR FORMATION IN POLYESTERS AND COPOLYESTERS EASTMAN CHEMICAL COMPANY (US) 2008-07-17 WO disclosed
US-20080167440-A1 Use of copolymerizable sulfonate salts to promote char formation in polyesters and copolyesters EASTMAN CHEMICAL COMPANY 2008-07-10 US disclosed