SCHEMBL2391184

SCHEMBL2391184

CCC(=Cc1cc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)ccc1Cl)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.42
ALOX5 P09917 3/20 0.42
HDAC11 Q96DB2 4/20 0.42
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S1PR1 P21453 1/20 0.39
HDAC2 Q92769 1/20 0.39
PTPN1 P18031 2/20 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
SCHEMBL2391841 0.93 HDAC11 (0.42) PSEN1ALOX5HDAC11RARARARB
SCHEMBL2387856 0.90 RARA (0.49) PSEN1ALOX5HDAC11RARARARB
SCHEMBL2394235 0.87 HDAC11 (0.42) HDAC11RARARARBRARGLMNA
SCHEMBL2391032 0.87 HDAC11 (0.46) PSEN1ALOX5HDAC11RARARARB
SCHEMBL2395834 0.86 PTPN11 (0.48) HDAC11RARARARBRARGLMNA
SCHEMBL2390953 0.85 PSEN1 (0.37) PSEN1ALOX5HDAC11RARARARB
SCHEMBL2393218 0.85 S1PR1 (0.41) PSEN1ALOX5HDAC11RARARARB
SCHEMBL2393669 0.84 HDAC11 (0.42) PSEN1ALOX5HDAC11RARARARB
SCHEMBL6022589 0.84 HDAC11 (0.55) HDAC11RARARARBRARGLMNA
SCHEMBL6022597 0.84 HDAC11 (0.55) HDAC11RARARARBRARGLMNA

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