SCHEMBL10694526

SCHEMBL10694526

O=C(O)CCCCC(=O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.70
▸ HDAC8 Q9BY41 6/20 0.70
▸ HDAC3 O15379 2/20 0.70
▸ HDAC4 P56524 2/20 0.70
▸ HDAC7 Q8WUI4 2/20 0.70
▸ HDAC2 Q92769 2/20 0.70
▸ HDAC10 Q969S8 2/20 0.70
▸ HDAC11 Q96DB2 2/20 0.70
▸ HDAC6 Q9UBN7 2/20 0.70
▸ HDAC9 Q9UKV0 2/20 0.70
▸ HDAC5 Q9UQL6 2/20 0.70
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ DPP4 P27487 1/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ CASP3 P42574 1/20 0.58
▸ SENP8 Q96LD8 1/20 0.58

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
SCHEMBL12918716 0.89 NR4A2 (0.70) HDAC1HDAC8HDAC3HDAC4HDAC7
Diphenylmethane SCHEMBL10702233 0.87 MAPT (0.69) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8896277 0.86 TDP1 (0.79) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL19757449 0.85 HSD17B3 (0.63) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL8894978 0.85 MAPT (0.74) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL517169 0.85 HDAC1 (0.96) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6604478 0.83 HDAC1 (0.92) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL9663087 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL9352420 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7824358 0.83 HDAC1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769482-A Cyano and thiocyano intermediates ELI LILLY AND COMPANY (US) 1988-09-06 — — US disclosed
Send feedback