SCHEMBL8868655

SCHEMBL8868655

O=C(CCCc1ccccc1)OCCCCCCCCCBr

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HDAC3 O15379 1/20 0.51
MAPK1 P28482 1/20 0.51
ADRA1A P35348 1/20 0.51
HDAC4 P56524 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL8867973 1.00 TDP1 (0.62) TDP1LMNASMN1; SMN2HDAC3MAPK1
SCHEMBL8867570 1.00 TDP1 (0.62) TDP1LMNASMN1; SMN2HDAC3MAPK1
SCHEMBL8868323 0.95 TDP1 (0.60) TDP1LMNAHDAC1HDAC2FFAR1
SCHEMBL9176914 0.94 TDP1 (0.72) TDP1LMNASMN1; SMN2FFAR1ALOX5
SCHEMBL12446326 0.92 TDP1 (0.72) TDP1LMNASMN1; SMN2HDAC3MAPK1
SCHEMBL8868087 0.90 TDP1 (0.66) TDP1LMNASMN1; SMN2HDAC3MAPK1
SCHEMBL19643833 0.90 TDP1 (0.70) TDP1LMNASMN1; SMN2HDAC3MAPK1
SCHEMBL1788500 0.89 TDP1 (0.68) TDP1LMNASMN1; SMN2HDAC1HDAC2
SCHEMBL7781081 0.89 TDP1 (0.68) TDP1LMNASMN1; SMN2HDAC1HDAC2
SCHEMBL31657266 0.89 TDP1 (0.72) TDP1LMNASMN1; SMN2HDAC3MAPK1

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
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 US disclosed
EP-0664788-A1 SUBSTITUTED ETHANOLAMINE ESTERS Byk Nederland BV (NL) 1995-08-02 EP disclosed
WO-1994008945-A1 SUBSTITUTED ETHANOLAMINE ESTERS BYK NEDERLAND BV (NL) 1994-04-28 WO disclosed