SCHEMBL6637536

SCHEMBL6637536

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C(=O)NCCc3ccccn3)C3CCCCC3)oc(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.50
ELANE P08246 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.34
ADAM17 P78536 1/20 0.33
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.32
PTGFR P43088 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP2 O95551 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
SCHEMBL6636873 0.89 CTRB1 (0.49) CTRB1ELANERAB9ANPC1ALDH1A1
SCHEMBL6637057 0.87 ELANE (0.51) CTRB1ELANERAB9ARENCTSD
SCHEMBL6638457 0.84 ELANE (0.49) CTRB1ELANEKMT2ACYP3A4
SCHEMBL6715191 0.84 ELANE (0.56) CTRB1ELANESMN1; SMN2ALDH1A1MEN1
SCHEMBL6635970 0.83 CTRB1 (0.49) CTRB1ELANERENALDH1A1CYP3A4
SCHEMBL6636501 0.82 CTRB1 (0.58) CTRB1ELANESMN1; SMN2RAB9AALDH1A1
SCHEMBL6640855 0.81 CTRB1 (0.57) CTRB1ELANESMN1; SMN2RAB9ANPC1
SCHEMBL6635623 0.79 CTRB1 (0.60) CTRB1ELANESMN1; SMN2ALDH1A1MEN1
SCHEMBL6637280 0.79 ELANE (0.48) CTRB1ELANE
SCHEMBL6637009 0.79 CTRB1 (0.52) CTRB1ELANESMN1; SMN2RAB9ANPC1

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-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed