SCHEMBL7499747

SCHEMBL7499747

COc1ccccc1-c1ccccc1C(=O)CCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.55
HDAC1 Q13547 2/20 0.55
LMNA P02545 2/20 0.49
PDE4B Q07343 1/20 0.48
NPC1 O15118 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FAAH O00519 1/20 0.46
CTNNB1 P35222 2/20 0.45
WNT3A P56704 2/20 0.45
FABP4 P15090 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7505195 0.98 HDAC8 (0.52) HDAC8HDAC1LMNAPDE4BNPC1
SCHEMBL27688476 0.88 HDAC8 (0.68) HDAC8HDAC1LMNAPDE4BNPC1
SCHEMBL6626765 0.86 HDAC8 (0.66) HDAC8HDAC1LMNAPDE4BNPC1
SCHEMBL28023330 0.82 NPC1 (0.54) NPC1FAAHHPGDKMT2A
1,2-Dimethoxybenzene SCHEMBL31672175 0.81 LMNA (0.70) HDAC8HDAC1LMNAPDE4BHDAC3
SCHEMBL5045736 0.80 NPC1 (0.49) HDAC8HDAC1LMNANPC1CTNNB1
SCHEMBL5081630 0.78 CTNNB1 (0.63) HDAC8HDAC1LMNANPC1CTNNB1
SCHEMBL30609633 0.78 CTNNB1 (0.63) HDAC8HDAC1LMNANPC1CTNNB1
SCHEMBL536179 0.77 HTT (0.62) HPGDKMT2A
SCHEMBL7499742 0.77 NR1H4 (0.53) HDAC8HDAC1LMNAPDE4BHDAC3

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