SCHEMBL7512928

SCHEMBL7512928

O=C(O)CCCCC(=O)c1cccc(-c2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
KAT6A Q92794 1/20 0.46
SUCNR1 Q9BXA5 1/20 0.45
PPARG P37231 1/20 0.44
HNF4A P41235 1/20 0.42
PTGIR P43119 3/20 0.42
BCAT2 O15382 1/20 0.41
GPR17 Q13304 1/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL7499861 0.79 HTT (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7506003 0.79 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7499742 0.78 NR1H4 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7512933 0.78 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7505997 0.78 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7503214 0.78 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7503219 0.77 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL121804 0.77 HNF4A (0.63) KAT6AHNF4ABCAT2MAPTHTT
SCHEMBL7505187 0.77 NR1H4 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10790803 0.75 SMN1; SMN2 (0.56) PPARGHNF4ABCAT2PTGER1PTGER4

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