SCHEMBL7501343

SCHEMBL7501343

COC(=O)CCCC(=O)c1cccc(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.48
EPAS1 Q99814 3/20 0.45
SERPINE1 P05121 1/20 0.45
EPHX2 P34913 5/20 0.42
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL2388331 0.81 HIF1A (0.49) HIF1AEPAS1SERPINE1EPHX2MDH1
SCHEMBL9126429 0.80 HIF1A (0.60) HIF1AEPAS1SERPINE1EPHX2MDH1
SCHEMBL28094060 0.77 SERPINE1 (0.50) HIF1AEPAS1SERPINE1MDH1MDH2
SCHEMBL9124033 0.74 SERPINE1 (0.55) HIF1AEPAS1SERPINE1EPHX2MDH1
SCHEMBL422675 0.74 SERPINE1 (0.58) HIF1AEPAS1SERPINE1EPHX2KMT2A
SCHEMBL3302845 0.73 CES2 (0.56) KMT2AALDH1A1MAPTNPC1
SCHEMBL11704336 0.73 HIF1A (0.46) HIF1AEPAS1EPHX2MDH1MDH2
SCHEMBL28197968 0.73 HIF1A (0.55) HIF1AEPAS1SERPINE1KMT2AMEN1
SCHEMBL941120 0.72 TDP1 (0.62) KMT2AMEN1MAPTHPGDNPC1
SCHEMBL27685314 0.71 LOXL2 (0.43) KMT2AMEN1NPC1

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