SCHEMBL18082002

SCHEMBL18082002

O=C(CCCCCC(=O)n1cc(F)c(=O)[nH]c1=O)NO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.53
LMNA P02545 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK3 P27361 1/20 0.50
ASAH1 Q13510 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.41
HDAC3 O15379 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL7909995 1.00 SQOR (0.53) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL7905799 0.85 ASAH1 (0.72) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL7915776 0.85 ASAH1 (0.72) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL7917602 0.85 ASAH1 (0.72) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL7905795 0.85 ASAH1 (0.72) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL12104154 0.85 ASAH1 (0.72) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL7919650 0.84 LMNA (0.46) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL7910033 0.84 LMNA (0.46) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL11626192 0.83 SQOR (0.71) SQORLMNACYP3A4CYP2D6MAPK3
SCHEMBL11632037 0.83 SQOR (0.71) SQORLMNACYP3A4CYP2D6MAPK3

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-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed