SCHEMBL7228191

SCHEMBL7228191

CC(C)C(=O)Oc1cccc2oc(C(=O)Nc3ccc(CC4SC(=O)NC4=O)cc3)cc(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 1/20 0.41
MAPT P10636 4/20 0.40
PPARG P37231 3/20 0.40
MPC2 O95563 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
FFAR1 O14842 3/20 0.39
TP53 P04637 1/20 0.38
PPARA Q07869 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
SCHEMBL7221407 0.91 KMT2A (0.42) POLHMAPTPPARGMPC2CYP2C8
SCHEMBL7222003 0.90 MAPT (0.41) POLHMAPTPPARGMPC2CYP2C8
SCHEMBL7228500 0.90 ABCB1 (0.46) POLHMAPTPPARGMPC2CYP2C8
SCHEMBL7237476 0.84 POLH (0.46) POLHMAPTPPARGMPC2CYP2C8
SCHEMBL7220586 0.84 POLH (0.59) POLHMAPTPPARGMPC2CYP2C8
SCHEMBL7228269 0.81 MAPT (0.47) MAPTPPARGMPC2CYP2C8CYP2C9
SCHEMBL7229157 0.81 CA2 (0.47) MAPTPPARGMPC2CYP2C8CYP2C9
SCHEMBL7221140 0.80 MAOA (0.60) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL7221825 0.78 MAPT (0.47) POLHMAPTKMT2AMEN1POLB
SCHEMBL7228016 0.78 POLH (0.45) POLHMAPTPPARGFFAR1PPARA

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
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed