SCHEMBL4044655

SCHEMBL4044655

CCCC(NC(=O)Oc1ccc2c(c1)OCO2)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.38
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KMT2A Q03164 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MCHR1 Q99705 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
SCHEMBL4043401 0.92 CTSK (0.47) CTSKLMNATSHRSMN1; SMN2ABCB1
SCHEMBL4043597 0.89 CTSK (0.41) CTSKSMN1; SMN2CTSLCTSSPREP
SCHEMBL4046061 0.89 LMNA (0.36) LMNATSHRSMN1; SMN2ABCB1NPC1
SCHEMBL4045843 0.88 CTSK (0.43) CTSKCTSLCTSSKMT2APREP
SCHEMBL4049188 0.87 CTSK (0.40) CTSKLMNASMN1; SMN2CTSLCTSS
SCHEMBL4051941 0.86 ELOVL6 (0.38) CTSKLMNATSHRSMN1; SMN2CTSL
SCHEMBL4049845 0.86 CTSK (0.40) CTSKABCB1CTSLCTSSKMT2A
SCHEMBL4040451 0.85 CTSK (0.41) CTSKCTSLCTSSKMT2APREP
SCHEMBL4048179 0.85 TSHR (0.36) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL4044465 0.83 CTSK (0.43) CTSKSMN1; SMN2ABCB1CTSLCTSS

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