SCHEMBL2390953

SCHEMBL2390953

CCOc1c(C=C(CC)C(=O)O)cc(Cl)cc1-c1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.37
ALOX5 P09917 2/20 0.37
S1PR1 P21453 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
LTB4R Q15722 3/20 0.37
LTB4R2 Q9NPC1 3/20 0.37
PTGER1 P34995 4/20 0.36
PTGES O14684 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 3/20 0.35
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35

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
SCHEMBL2393218 0.94 S1PR1 (0.41) PSEN1ALOX5S1PR1HDAC11LTB4R
SCHEMBL6022615 0.88 HDAC11 (0.47) S1PR1HDAC11LTB4RLTB4R2PTGER1
SCHEMBL6022621 0.88 HDAC11 (0.47) S1PR1HDAC11LTB4RLTB4R2PTGER1
SCHEMBL2391843 0.86 PTPN11 (0.46) HDAC11RARARARBRARGMEN1
SCHEMBL2390948 0.85 HDAC11 (0.40) S1PR1HDAC11PTGER1LMNACYP2C9
SCHEMBL2391184 0.85 PSEN1 (0.42) PSEN1ALOX5S1PR1HDAC11LTB4R
SCHEMBL2391841 0.85 HDAC11 (0.42) PSEN1ALOX5S1PR1HDAC11LTB4R
SCHEMBL2395834 0.83 PTPN11 (0.48) S1PR1HDAC11LTB4RLTB4R2LMNA
SCHEMBL2394235 0.82 HDAC11 (0.42) S1PR1HDAC11LTB4RLTB4R2LMNA
SCHEMBL2387856 0.82 RARA (0.49) PSEN1ALOX5S1PR1HDAC11PTGES

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