SCHEMBL11240911

SCHEMBL11240911

C=CCc1cc(C)c(C(=O)OCC)cc1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
PTPN1 P18031 6/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL18209405 0.84 CA12 (0.53) KDM4EMAPK1CA12CA1CA2
SCHEMBL1515872 0.79 CA12 (0.62) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL29022766 0.77 KDM4E (0.51) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL23706692 0.76 CA12 (0.51) KDM4ECA12CA1CA2CA7
SCHEMBL1975607 0.75 GABRA1 (0.53) KDM4EPTPN1CYP3A4KMT2AALDH1A1
SCHEMBL16302043 0.75 TSHR (0.61) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL18311390 0.74 CA12 (0.53) KDM4ECA12CA1CA2CA7
SCHEMBL14468249 0.74 TSHR (0.52) KDM4EHSD17B10MAPK1CA12CA1
SCHEMBL28654509 0.74 CA12 (0.56) KDM4EHSD17B10CA12CA1CA2
SCHEMBL4251896 0.74 TSHR (0.62) KDM4EHSD17B10MAPK1CYP3A4TSHR

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-57115458-A None JP disclosed
JP-S57115458-A STABILIZED SYNTHETIC RESIN COMPOSITION SUMITOMO CHEM CO LTD 1982-07-17 JP disclosed