SCHEMBL1349645

SCHEMBL1349645

O=C(CBr)NCCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
NAAA Q02083 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43

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
SCHEMBL20822011 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL8449538 0.91
SCHEMBL16853228 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853226 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853231 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL23475919 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853225 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853230 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16853229 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL3303701 0.91 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063249-B1 Substituted triphenyl butenes OLEMA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063249-B1 Substituted triphenyl butenes OLEMA PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed