SCHEMBL2391808

SCHEMBL2391808

CCC(=Cc1cc(Cl)c(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.54
NR0B2 Q15466 3/20 0.54
RARB P10826 6/20 0.50
PTPRCAP Q14761 2/20 0.46
RARA P10276 5/20 0.46
RARG P13631 4/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2390151 0.91 RARB (0.51) PTPN11NR0B2RARBPTPRCAPRARA
SCHEMBL2391094 0.88 PTPN11 (0.68) PTPN11NR0B2RARBPTPRCAPRARA
SCHEMBL2390154 0.86 RARB (0.48) PTPN11NR0B2RARBRARARARG
SCHEMBL2391149 0.85 RARB (0.51) PTPN11NR0B2RARBPTPRCAPRARA
SCHEMBL2391145 0.85 RARB (0.51) PTPN11NR0B2RARBPTPRCAPRARA
SCHEMBL2393233 0.85 RARB (0.55) PTPN11NR0B2RARBPTPRCAPRARA
SCHEMBL2390175 0.84 RARB (0.54) PTPN11NR0B2RARBPTPRCAPRARA
SCHEMBL2394235 0.83 HDAC11 (0.42) PTPN11NR0B2RARBRARARARG
SCHEMBL14974372 0.83 RARB (0.51) PTPN11NR0B2RARBPTPRCAPRARA
SCHEMBL2391578 0.81 PTPN11 (0.53) PTPN11NR0B2RARBPTPRCAPRARA

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 1 patent. 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