SCHEMBL7162009

SCHEMBL7162009

C=CCOC(=O)c1cc(C(=O)OCC=C)cc(S(=O)(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CYP3A4 P08684 1/20 0.46
SNCA P37840 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RHOA P61586 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL254063 0.86 CYP3A4 (0.59) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL5420632 0.79 L3MBTL1 (0.49) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL7139650 0.79 CA12 (0.53) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL7196703 0.79 CYP3A4 (0.52) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL16246769 0.79 CYP3A4 (0.52) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL23066502 0.77 CYP3A4 (0.50) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL5095083 0.77 ALDH1A1 (0.51) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL8603488 0.77 CYP3A4 (0.50) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL26046537 0.77 CA12 (0.56) CYP3A4SNCAALDH1A1HSD17B10TSHR
SCHEMBL10110470 0.77 LCK (0.52) LCKFYNTSHRTDP1

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
JP-2003238680-A METHOD FOR PRODUCING NYLON 6 COPOLYMER CONTAINING SULFONIC ACID COMONOMER IND TECHNOL RES INST 2003-08-27 JP disclosed
US-5094916-A Containing sulfonate groups or salts KONICA CORPORATION (JP) 1992-03-10 US disclosed