SCHEMBL2393218

SCHEMBL2393218

CCC(=Cc1cc(Cl)cc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)c1OC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
LMNA P02545 3/20 0.39
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL2390953 0.94 PSEN1 (0.37) S1PR1LMNARARARARBRARG
SCHEMBL6022901 0.87 HDAC11 (0.47) S1PR1LMNARARARARBRARG
SCHEMBL6022897 0.87 HDAC11 (0.47) S1PR1LMNARARARARBRARG
SCHEMBL2393703 0.85 PTPN11 (0.49) LMNARARARARBRARGMEN1
SCHEMBL2387856 0.85 RARA (0.49) S1PR1LMNARARARARBRARG
SCHEMBL2390735 0.85 HDAC11 (0.40) S1PR1LMNARARARARBRARG
SCHEMBL2391184 0.85 PSEN1 (0.42) S1PR1LMNARARARARBRARG
SCHEMBL2391841 0.85 HDAC11 (0.42) S1PR1LMNARARARARBRARG
SCHEMBL2395834 0.84 PTPN11 (0.48) S1PR1LMNARARARARBRARG
SCHEMBL2394296 0.83 HDAC11 (0.45) S1PR1LMNARARARARBRARG

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