SCHEMBL9665149

SCHEMBL9665149

O=C(CCCCCCCCc1ccc(Cl)cc1)NO

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.97
HDAC2 Q92769 10/20 0.97
HDAC6 Q9UBN7 8/20 0.97
HDAC8 Q9BY41 7/20 0.97
HDAC3 O15379 6/20 0.97
HDAC5 Q9UQL6 6/20 0.97
HDAC4 P56524 5/20 0.97
HDAC7 Q8WUI4 5/20 0.97
HDAC10 Q969S8 5/20 0.97
HDAC11 Q96DB2 5/20 0.97
HDAC9 Q9UKV0 5/20 0.97
ALOX5 P09917 1/20 0.70

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
SCHEMBL22849745 0.98 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL6386199 0.95 HDAC1 (0.88) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL22190399 0.93 HDAC1 (0.90) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL10588753 0.83 HDAC1 (0.70) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL11959225 0.83 HDAC1 (0.70) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL22190384 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL5807174 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL3844327 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL28446468 0.82 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8610138 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC8HDAC3

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-0273451-B1 LIPOXYGENASE INHIBITORY COMPOUNDS Bristol-Myers Squibb Company (US) 1992-04-01 EP disclosed
US-4861798-A Lipoxygenase inhibitory compounds BRISTOL-MYERS COMPANY (US) 1989-08-29 US disclosed
EP-0273451-A2 Lipoxygenase inhibitory compounds Bristol-Myers Squibb Company (US) 1988-07-06 EP disclosed