SCHEMBL18952990

SCHEMBL18952990

CCCc1ccc(OC(C=O)c2ccc(O)c(C)c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
USP2 O75604 2/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CNR1 P21554 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
SCHEMBL18201985 0.72 THRB (0.40) KMT2AMAPTMEN1MAPK1THRB
SCHEMBL7347411 0.69 THRB (0.47) KMT2ATHRBPPARGPPARAALDH1A1
SCHEMBL18952922 0.67 KMT2A (0.70) KMT2AMAPTMEN1LMNAHTT
SCHEMBL5701898 0.63 THRB (0.42) KMT2AMAPTTHRBPPARGPPARA
SCHEMBL4137878 0.63 PPARG (0.49) KMT2ATHRBPPARGPPARAALDH1A1
SCHEMBL7903010 0.63 POLB (0.53) KMT2ALMNAGAATHRBPPARG
SCHEMBL12611654 0.62 LMNA (0.61) KMT2AMAPTMEN1LMNAGAA
SCHEMBL3719181 0.62 MEN1 (0.45) KMT2AMAPTMEN1LMNAALOX15
SCHEMBL5272244 0.62 PPARG (0.48) KMT2ALMNATHRBPPARGPPARA
SCHEMBL8699347 0.62 THRB (0.39) KMT2AMAPTHTTTHRBPPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386498-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2018-10-17 EP disclosed
WO-2017098467-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2017-06-15 WO disclosed