SCHEMBL7499557

SCHEMBL7499557

COC(=O)CCCC(=O)c1ccc(Cl)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.45
TSHR P16473 2/20 0.43
PDE4B Q07343 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC1 Q13547 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 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
SCHEMBL6810549 0.84 L3MBTL1 (0.57) L3MBTL1MAPTTSHRHDAC8HDAC1
SCHEMBL7508166 0.83 ALDH1A1 (0.58) L3MBTL1MAPTMEN1KMT2ACYP1A2
SCHEMBL7506850 0.83 NPC1 (0.44) L3MBTL1MAPTTSHRPDE4BHDAC8
SCHEMBL6810008 0.81 L3MBTL1 (0.48) L3MBTL1MAPTTSHRHDAC8HDAC1
SCHEMBL17094704 0.79 HSD17B3 (0.50) L3MBTL1MAPTTSHRHDAC8HDAC1
SCHEMBL7467309 0.79 TSHR (0.52) L3MBTL1MAPTTSHRPDE4BMEN1
SCHEMBL3841701 0.79 HDAC1 (0.58) L3MBTL1MAPTTSHRPDE4BHDAC8
SCHEMBL3337532 0.77 MAPT (0.46) L3MBTL1MAPTHDAC8HDAC1MEN1
SCHEMBL3668982 0.77 HPGD (0.53) L3MBTL1TSHRHDAC8HDAC1POLB
SCHEMBL9214073 0.76 CA12 (0.54) L3MBTL1MAPTTSHRPDE4BNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721942-B1 TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 2002-06-05 EP disclosed
US-5646283-A IMMUNOSUPPRESSANTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-08 US disclosed
EP-0721942-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-17 EP disclosed