SCHEMBL2391131

SCHEMBL2391131

CCC(=Cc1ccc(OC)c(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.49
PTPN11 Q06124 4/20 0.48
NR0B2 Q15466 2/20 0.48
HDAC11 Q96DB2 5/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC7 Q8WUI4 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
RARA P10276 6/20 0.46
RARG P13631 6/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL2390175 0.90 RARB (0.54) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL2390154 0.87 RARB (0.48) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL2392379 0.87 RARB (0.51) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL2394296 0.86 HDAC11 (0.45) RARBHDAC11HDAC2HDAC7HDAC8
SCHEMBL2391578 0.86 PTPN11 (0.53) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL2394189 0.86 RARB (0.52) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL2395883 0.85 PTPN11 (0.52) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL2391094 0.85 PTPN11 (0.68) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL2393233 0.83 RARB (0.55) RARBPTPN11NR0B2HDAC11HDAC2
SCHEMBL6622836 0.83 RARB (0.52) RARBPTPN11NR0B2HDAC11HDAC2

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