SCHEMBL4046061

SCHEMBL4046061

CCCC(NC(=O)Oc1ccc2c(c1)OCO2)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.33
BMP1 P13497 2/20 0.33
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MCHR1 Q99705 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
KCNQ1 P51787 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL4050724 0.93 CTSK (0.39) LMNATSHRSMN1; SMN2HPGDMAPK1
SCHEMBL4051941 0.90 ELOVL6 (0.38) LMNATSHRSMN1; SMN2
SCHEMBL4047535 0.90 MC4R (0.38) SMN1; SMN2PREPFAP
SCHEMBL4044655 0.89 CTSK (0.39) LMNATSHRSMN1; SMN2HPGDABCB1
SCHEMBL4052303 0.89 CTSK (0.35) PREPFAP
SCHEMBL4048179 0.88 TSHR (0.36) LMNATSHRSMN1; SMN2HPGDBMP1
SCHEMBL4043124 0.88 POLB (0.34) LMNATSHRSMN1; SMN2HPGDBMP1
SCHEMBL4043678 0.88 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL4041785 0.87 PREP (0.35) PREPFAP
SCHEMBL4044691 0.86 PREP (0.35) PREPFAP

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed