SCHEMBL12257902

SCHEMBL12257902

O=C(O)/C=C/c1ccc(-c2ccc(O)c(C3=CC4CCC3C4)c2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 11/20 0.58
NR0B2 Q15466 4/20 0.57
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA3 P07451 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC3 O15379 1/20 0.40
AKR1B10 O60218 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL12257900 0.82 PTPN11 (0.58) PTPN11NR0B2KDM4EHSD17B10CA12
SCHEMBL12257892 0.73 PTPN11 (1.00) PTPN11NR0B2KDM4EHSD17B10CA12
SCHEMBL29604865 0.73 PTPN11 (1.00) PTPN11NR0B2HDAC3HDAC4HDAC1
SCHEMBL1914213 0.73 PTPN11 (1.00) PTPN11NR0B2HDAC3HDAC4HDAC1
SCHEMBL1914215 0.73 PTPN11 (1.00) PTPN11NR0B2HDAC3HDAC4HDAC1
SCHEMBL3290498 0.72 PTPN11 (0.60) PTPN11NR0B2KDM4EHSD17B10CA12
SCHEMBL12309639 0.71 PTPN11 (0.77) PTPN11NR0B2KDM4EHSD17B10CA12
SCHEMBL12257895 0.69 PTPN11 (1.00) PTPN11NR0B2KDM4EHSD17B10CA12
SCHEMBL6022866 0.69 KDM4E (0.70) PTPN11NR0B2KDM4EHSD17B10CA12
SCHEMBL6022871 0.69 KDM4E (0.70) PTPN11NR0B2KDM4EHSD17B10CA12

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
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed