SCHEMBL5331992

SCHEMBL5331992

COC(=O)c1c[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.74
CREBBP Q92793 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MITF O75030 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TRPV1 Q8NER1 2/20 0.52
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C8 P10632 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HTR4 Q13639 1/20 0.46
MTNR1A P48039 1/20 0.46

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
SCHEMBL30644860 0.87 NR4A2 (0.56) NR4A2MEN1KMT2AMITFLMNA
SCHEMBL12480777 0.87 NR4A2 (0.56) NR4A2MEN1KMT2AMITFLMNA
SCHEMBL31375050 0.87 NR4A2 (0.55) NR4A2MEN1KMT2AMITFLMNA
SCHEMBL5068806 0.85 NR4A2 (1.00) NR4A2CREBBPMEN1KMT2AMITF
SCHEMBL28182662 0.84 LMNA (0.56) NR4A2MEN1KMT2AMITFLMNA
SCHEMBL24855192 0.82 NR4A2 (0.50) NR4A2MEN1KMT2AMITFLMNA
SCHEMBL30844608 0.82 NR4A2 (0.50) NR4A2MEN1KMT2AMITFLMNA
SCHEMBL24855193 0.82 NR4A2 (0.50) NR4A2MEN1KMT2AMITFLMNA
SCHEMBL1466529 0.82 NR4A2 (0.65) NR4A2CREBBPMEN1KMT2AMITF
SCHEMBL29989077 0.82 NR4A2 (0.50) NR4A2MEN1KMT2AMITFLMNA

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-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed