SCHEMBL4608840

SCHEMBL4608840

CN(Cc1ccc(C(=O)N2CC3CCC(C)(C2)C3(C)C)cc1)S(C)(=O)=O.CN(Cc1ccc(C(=O)N2CC3CCC(CC3)C2)cc1)S(C)(=O)=O.CN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
F10 P00742 1/20 0.38
HPGD P15428 5/20 0.36
MAPT P10636 2/20 0.36
GLA P06280 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
ADRB2 P07550 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3811254 0.90 ALDH1A1 (0.36) ALDH1A1LMNAF10HPGDHRH3
SCHEMBL3814369 0.82 HRH3 (0.39) ALDH1A1HPGDMAPTGLAHRH3
SCHEMBL12576932 0.81 HRH3 (0.37) ALDH1A1LMNAF10HPGDHRH3
SCHEMBL3819063 0.80 LMNA (0.54) ALDH1A1LMNAHPGDHRH3KMT2A
SCHEMBL3811550 0.78 HPGD (0.56) ALDH1A1LMNAF10HPGDMAPT
SCHEMBL12640409 0.74 CA2 (0.38) ALDH1A1LMNAHPGDHRH3KMT2A
SCHEMBL3812022 0.74 HDAC1 (0.46) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL3811439 0.73 LMNA (0.37) ALDH1A1LMNAHPGDHRH3KMT2A
SCHEMBL3811818 0.73 AOC3 (0.40) ALDH1A1LMNAHPGDMAPTHRH3
SCHEMBL3811384 0.73 CCR5 (0.40) ALDH1A1HRH3KMT2AMEN1SMN1; SMN2

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
EP-1948190-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2008-07-30 EP disclosed
WO-2007051810-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed