SCHEMBL7230243

SCHEMBL7230243

CC(C)(C)OC(=O)N1CCN(Cc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.63
ABCB1 P08183 5/20 0.56
KMT2A Q03164 6/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 4/20 0.55
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN11 Q06124 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL7229907 0.82 MAOB (0.63) ABCB1KMT2AMAPTMEN1POLB
SCHEMBL7221186 0.82 NPC1 (0.75) ABCB1KMT2AMAPTMEN1POLB
SCHEMBL7223900 0.81 MAOB (0.61) ABCB1KMT2AMAPTMEN1POLB
SCHEMBL7222827 0.81 MAOB (0.61) ABCB1KMT2AMAPTMEN1POLB
SCHEMBL7229383 0.78 MAOB (0.59) ABCB1KMT2AMAPTMEN1POLB
SCHEMBL18083725 0.77 KDR (0.59) KMT2AMAPTMEN1POLBNPC1
SCHEMBL18083772 0.76 SMN1; SMN2 (0.64) KMT2AMAPTMEN1POLBNPC1
SCHEMBL18083681 0.75 ACKR3 (0.54) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL7220985 0.74 MAOB (0.60) ABCB1KMT2AMAPTMEN1POLB
SCHEMBL7221811 0.74 MAOA (0.63) ABCB1KMT2AMAPTMEN1POLB

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