SCHEMBL2391719

SCHEMBL2391719

CCc1c(C=CC(=O)O)cc(Cl)c(OC)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
PLA2G1B P04054 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TPMT P51580 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL2392799 0.81 PTGER3 (0.38) KDM4EALDH1A1PLA2G1BATG4BGAA
SCHEMBL2394283 0.75 PKM (0.54) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL9515747 0.75 PTGER3 (0.43) KDM4EALDH1A1PLA2G1BATG4BSMN1; SMN2
SCHEMBL9515758 0.75 PTGER3 (0.43) KDM4EALDH1A1PLA2G1BATG4BSMN1; SMN2
SCHEMBL8179413 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL8179414 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6022444 0.72 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6022435 0.72 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL2388955 0.72 ESR1 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1405663 0.71 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10HTR1A

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