SCHEMBL2393233

SCHEMBL2393233

CCC(=Cc1cccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.55
RARA P10276 6/20 0.51
RARG P13631 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC8 Q9BY41 2/20 0.51

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 0.88 RARB (0.54) RARBRARARARGMEN1KMT2A
SCHEMBL2391578 0.86 PTPN11 (0.53) RARBRARARARGMEN1KMT2A
SCHEMBL2390151 0.85 RARB (0.51) RARBRARARARGMEN1KMT2A
SCHEMBL14974372 0.85 RARB (0.51) RARBRARARARGMEN1KMT2A
SCHEMBL2391094 0.85 PTPN11 (0.68) RARBRARARARGMEN1KMT2A
SCHEMBL2395883 0.85 PTPN11 (0.52) RARBRARARARGMEN1KMT2A
SCHEMBL2392379 0.85 RARB (0.51) RARBRARARARGMEN1KMT2A
SCHEMBL2391808 0.85 PTPN11 (0.54) RARBRARARARGMEN1KMT2A
SCHEMBL2391131 0.83 RARB (0.49) RARBRARARARGMEN1KMT2A
SCHEMBL2391145 0.83 RARB (0.51) RARBRARARARGMEN1KMT2A

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