SCHEMBL2393669

SCHEMBL2393669

CCC(=Cc1cc(C)c(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c(C)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.42
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
HDAC2 Q92769 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RARA P10276 4/20 0.38
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38

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
SCHEMBL2394235 0.92 HDAC11 (0.42) HDAC11LTB4RLTB4R2HDAC2LMNA
SCHEMBL2387859 0.91 LMNA (0.45) HDAC11LTB4RLTB4R2HDAC2LMNA
SCHEMBL2390068 0.90 HDAC11 (0.43) HDAC11LTB4RLTB4R2HDAC2LMNA
SCHEMBL2391032 0.89 HDAC11 (0.46) HDAC11LTB4RLTB4R2HDAC2LMNA
SCHEMBL14974248 0.87 HDAC11 (0.43) HDAC11LTB4RLTB4R2HDAC2LMNA
SCHEMBL2395834 0.86 PTPN11 (0.48) HDAC11LTB4RLTB4R2HDAC2LMNA
SCHEMBL6022581 0.85 HDAC11 (0.57) HDAC11HDAC2LMNAALDH1A1TP53
SCHEMBL6022577 0.85 HDAC11 (0.57) HDAC11HDAC2LMNAALDH1A1TP53
SCHEMBL2391373 0.85 HDAC11 (0.43) HDAC11LTB4RLTB4R2HDAC2LMNA
SCHEMBL2394296 0.85 HDAC11 (0.45) HDAC11HDAC2LMNAALDH1A1TP53

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