SCHEMBL2391779

SCHEMBL2391779

CCOC(=O)/C=C/c1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.45
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RARB P10826 3/20 0.39
LMNA P02545 3/20 0.39
RARA P10276 2/20 0.39
RARG P13631 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2390957 0.93 HDAC11 (0.45) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL6023896 0.90 HDAC11 (0.55) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL6023902 0.90 HDAC11 (0.55) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL2387851 0.89 HDAC11 (0.48) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL2394225 0.88 HDAC11 (0.46) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL27601245 0.88 HDAC11 (0.46) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL2391025 0.86 HDAC11 (0.50) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL1913918 0.86 HDAC11 (0.45) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL2392575 0.86 PTPN11 (0.55) HDAC11HDAC2HDAC8HDAC1HDAC7
SCHEMBL2390948 0.86 HDAC11 (0.40) HDAC11HDAC2HDAC8HDAC1HDAC7

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