SCHEMBL9453093

SCHEMBL9453093

O=C(CCC(=O)OCCCCCCOc1ccc(-c2ccccc2)cc1)OCCCCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.69
HDAC2 Q92769 13/20 0.69
HDAC3 O15379 12/20 0.69
HDAC4 P56524 12/20 0.69
HDAC7 Q8WUI4 12/20 0.69
HDAC10 Q969S8 12/20 0.69
HDAC11 Q96DB2 12/20 0.69
HDAC8 Q9BY41 12/20 0.69
HDAC6 Q9UBN7 12/20 0.69
HDAC9 Q9UKV0 12/20 0.69
HDAC5 Q9UQL6 12/20 0.69
MMP3 P08254 1/20 0.58
HRH3 Q9Y5N1 4/20 0.55
KCNH2 Q12809 2/20 0.55
HRH4 Q9H3N8 2/20 0.55
LTA4H P09960 1/20 0.55
HRH1 P35367 1/20 0.55
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54

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
SCHEMBL9453088 0.95 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4310750 0.86 HDAC3 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9487294 0.85 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7515225 0.85 HDAC3 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3381443 0.85 HDAC3 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1007408 0.85 HDAC3 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17586111 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14539300 0.83 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7048969 0.83 FAAH (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7394977 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4939173-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-03 US claimed
EP-0373587-A2 Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP claimed
US-5177108-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-05 US disclosed
US-4939173-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-03 US disclosed
EP-0373587-A2 Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP disclosed