SCHEMBL2390729

SCHEMBL2390729

CCC(=Cc1ccc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c(Br)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.44
HDAC2 Q92769 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
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
S1PR1 P21453 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2390068 0.91 HDAC11 (0.43) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL2395834 0.90 PTPN11 (0.48) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL2391373 0.89 HDAC11 (0.43) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL2394296 0.89 HDAC11 (0.45) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL2393173 0.89 HDAC11 (0.42) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL2391032 0.88 HDAC11 (0.46) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL14974248 0.85 HDAC11 (0.43) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL6022569 0.85 HDAC11 (0.60) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL6022579 0.85 HDAC11 (0.60) HDAC11HDAC2HDAC1HDAC7HDAC8
SCHEMBL2390768 0.85 MTNR1A (0.41) HDAC11HDAC2HDAC1HDAC7HDAC8

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