SCHEMBL18173886

SCHEMBL18173886

COc1ccc(NC(=O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)c(C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MCHR1 Q99705 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18173887 1.00 PPARG (0.44) PPARGPPARAPOLBMAPTALDH1A1
SCHEMBL21272241 0.86 SMN1; SMN2 (0.48) PPARGPPARAPOLBMAPTALDH1A1
SCHEMBL21272239 0.86 SMN1; SMN2 (0.48) PPARGPPARAPOLBMAPTALDH1A1
SCHEMBL18173885 0.82 POLB (0.50) POLBMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL18173884 0.82 POLB (0.50) POLBMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL31366490 0.76 KDM4E (0.49) PPARGPPARAPOLBMAPTALDH1A1
SCHEMBL21272211 0.76 MAPT (0.51) PPARGPPARAPOLBMAPTALDH1A1
SCHEMBL21272208 0.76 MAPT (0.51) PPARGPPARAPOLBMAPTALDH1A1
SCHEMBL21272043 0.74 AAK1 (0.53) PPARGPPARAPOLBMAPTALDH1A1
SCHEMBL21272145 0.74 MAPT (0.49) PPARGPPARAPOLBMAPTALDH1A1

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-2016171470-A1 BROMODOMAIN-INHIBITING COMPOUNDS AND METHODS TO PREVENT OR TREAT A CANCER KAINOS MEDICINE, INC. (KR) 2016-10-27 WO disclosed