SCHEMBL5830708

SCHEMBL5830708

CCC(O)c1c(C)ccc(N)c1C(O)CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ESR1 P03372 2/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
S100B P04271 1/20 0.32
SKP2 Q13309 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
CASP1 P29466 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 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
SCHEMBL27999832 0.82 CD44 (0.43) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL7125803 0.80 PDE2A (0.39) LMNAALDH1A1RECQLUSP2GAA
SCHEMBL28148123 0.76 LMNA (0.38) LMNAALDH1A1RECQLUSP2GAA
SCHEMBL2066277 0.74 GABRP (0.40) LMNAESR2ALDH1A1TDP1CYP3A4
SCHEMBL572347 0.73 ALDH1A1 (0.51) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL505952 0.72 TDP1 (0.34) ALDH1A1TDP1CASP1CYP3A4TSHR
SCHEMBL28773000 0.71 LMNA (0.36) LMNARECQL
SCHEMBL11469208 0.71 LMNA (0.41) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL5118561 0.69 ALDH1A1 (0.44) LMNAALDH1A1TDP1CYP3A4TSHR
SCHEMBL9192019 0.68 ALDH1A1 (0.34) ALDH1A1TDP1CASP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673411-A2 ADHESIVE COMPOSITIONS Illinois Tool Works Inc. (US) 2006-06-28 EP disclosed
WO-2005030894-A2 ADHESIVE COMPOSITIONS ILLINOIS TOOL WORKS INC. (US) 2005-04-07 WO disclosed
EP-0017151-B1 COLD CURING MATERIALS FOR DENTAL PURPOSES WITH POLYMERISATION-ACTIVE SULFONES BAYER AG (DE) 1984-02-15 EP disclosed