SCHEMBL7223192

SCHEMBL7223192

COc1cc(O)c2c(=O)cc(C(=O)Nc3ccc(CC4SC(=O)NC4=O)cc3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
MAPT P10636 1/20 0.46
MDH1 P40925 1/20 0.45
MDH2 P40926 1/20 0.45
MPC2 O95563 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 1/20 0.43

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
SCHEMBL7229157 0.91 CA2 (0.47) PPARGMAPTMDH1MDH2MPC2
SCHEMBL7228016 0.90 POLH (0.45) PPARGMAPTMAOA
SCHEMBL7221825 0.88 MAPT (0.47) MAPTMAOA
SCHEMBL7220586 0.85 POLH (0.59) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7228269 0.84 MAPT (0.47) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7228500 0.84 ABCB1 (0.46) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7223493 0.81 MAPT (0.45) PPARGMAPTMAOA
SCHEMBL7230636 0.81 MAOB (0.49) MAPTMAOA
SCHEMBL7237476 0.80 POLH (0.46) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7221407 0.79 KMT2A (0.42) PPARGMAPTMPC2CYP2C8CYP2C9

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