SCHEMBL7222003

SCHEMBL7222003

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 5/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BCHE P06276 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLH Q9Y253 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PPARG P37231 3/20 0.39
MPC2 O95563 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB1 P08183 1/20 0.38
FFAR1 O14842 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
SCHEMBL7228191 0.90 POLH (0.41) MAPTKMT2APOLBMEN1NPC1
SCHEMBL7221407 0.90 KMT2A (0.42) MAPTKMT2APOLBMEN1NPC1
SCHEMBL7228500 0.88 ABCB1 (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7220586 0.82 POLH (0.59) MAPTKMT2APOLBMEN1NPC1
SCHEMBL7237476 0.82 POLH (0.46) MAPTKMT2APOLBMEN1NPC1
SCHEMBL7221140 0.81 MAOA (0.60) MAPTKMT2APOLBMEN1NPC1
SCHEMBL7229157 0.80 CA2 (0.47) MAPTPOLBNPC1RAB9ABCHE
SCHEMBL7228269 0.80 MAPT (0.47) MAPTKMT2APOLBMAOAPPARG
SCHEMBL7221825 0.77 MAPT (0.47) MAPTKMT2APOLBMEN1NPC1
SCHEMBL7228710 0.76 MCHR1 (0.49) MAPTKMT2APOLBMEN1NPC1

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