SCHEMBL18201982

SCHEMBL18201982

CCOc1ccc(C(C=O)Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
CNR2 P34972 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
NR1H4 Q96RI1 1/20 0.45
ALOX5 P09917 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL18201985 0.81 THRB (0.40) L3MBTL1SMN1; SMN2CNR2PPARGPPARA
SCHEMBL11293541 0.79 LMNA (0.67) LMNAL3MBTL1TP53PKMNFKB1
SCHEMBL7167442 0.77 ALOX5 (0.49) LMNAL3MBTL1ALOX5MAOB
SCHEMBL6188338 0.77 ALOX5 (0.55) LMNANR4A1NR4A2NR4A3ALOX5
SCHEMBL9421418 0.77 LMNA (0.57) LMNAL3MBTL1SMN1; SMN2PPARGPPARA
Ethylene SCHEMBL27940790 0.76 LMNA (0.62) LMNAL3MBTL1TP53PKMNFKB1
SCHEMBL8505924 0.75 LMNA (0.53) LMNAL3MBTL1SMN1; SMN2NR4A1NR4A2
SCHEMBL2844054 0.75 LMNA (0.53) LMNAL3MBTL1SMN1; SMN2NR4A1NR4A2
SCHEMBL8505922 0.75 LMNA (0.53) LMNAL3MBTL1SMN1; SMN2NR4A1NR4A2
SCHEMBL27578695 0.74 ALOX5 (0.52) LMNAALOX5MAOB

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
WO-2016176473-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARC INSTITUTE (US) 2016-11-03 WO disclosed