SCHEMBL7499856

SCHEMBL7499856

O=C(O)CCCC(=O)c1cc(F)cc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
FFAR1 O14842 3/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
HIF1A Q16665 1/20 0.50
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL5080184 0.80 HDAC3 (0.55) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8846361 0.78 HDAC1 (0.58) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL122522 0.77 DHODH (0.59) KAT6A
Glutarate SCHEMBL250428 0.76 FFAR1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
Biphenyl SCHEMBL27929406 0.76 FFAR1 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3809685 0.75 SMN1; SMN2 (0.79) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3211056 0.75 DHODH (0.62)
SCHEMBL503304 0.74 HDAC1 (0.88) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3381623 0.74 HDAC8 (0.79) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL3383104 0.74 HDAC8 (0.79) HDAC1HDAC8HDAC3HDAC4HDAC7

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