SCHEMBL4592330

SCHEMBL4592330

C=Cc1cccc(OC(CC)COCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
PLAU P00749 1/20 0.32
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
APP P05067 1/20 0.32
ACACB O00763 1/20 0.31
CHRM5 P08912 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
SCHEMBL22201015 0.88 TP53 (0.44) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27603153 0.84 TP53 (0.37) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27524551 0.84 MCHR1 (0.39) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6289223 0.82 TP53 (0.40) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16536303 0.77 TP53 (0.35) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5017313 0.77 TP53 (0.40) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL409170 0.76 TP53 (0.42) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7776977 0.76 TP53 (0.42) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5016969 0.76 TP53 (0.42) TP53TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2413304 0.75 KDM4E (0.38) TP53TDP1ALDH1A1SMN1; SMN2KDM4E

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-1902019-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-03-26 EP disclosed
EP-1769286-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS Ciba Specialty Chemicals Holding Inc. (CH) 2007-04-04 EP disclosed
WO-2007003507-A1 SULPHONIUM SALT INITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 WO disclosed
WO-2006008250-A2 OXIME DERIVATIVES AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 WO disclosed