SCHEMBL6637009

SCHEMBL6637009

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)[C@@H](C)C(=O)NCCc3ccccn3)oc(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.36
RAB9A P51151 3/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
PTGFR P43088 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP2 O95551 1/20 0.33
KCNA5 P22460 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
SCHEMBL6641379 0.92 CTRB1 (0.53) CTRB1ELANEALDH1A1SMN1; SMN2MEN1
SCHEMBL6639323 0.89 CTRB1 (0.49) CTRB1ELANEALDH1A1SMN1; SMN2MEN1
SCHEMBL6641428 0.88 CTRB1 (0.52) CTRB1ELANEALDH1A1SMN1; SMN2MEN1
SCHEMBL6639326 0.87 CTRB1 (0.52) CTRB1ELANEALDH1A1SMN1; SMN2MEN1
SCHEMBL6637372 0.86 ELANE (0.53) CTRB1ELANERAB9ANPC1TDP2
SCHEMBL6637014 0.86 CTRB1 (0.48) CTRB1ELANEALDH1A1SMN1; SMN2MEN1
SCHEMBL6401408 0.83 CTRB1 (0.54) CTRB1ELANEMEN1KMT2ATDP2
SCHEMBL6637518 0.83 CTRB1 (0.53) CTRB1ELANEALDH1A1KMT2ACYP3A4
SCHEMBL6633862 0.82 CTRB1 (0.51) CTRB1ELANEALDH1A1SMN1; SMN2MEN1
SCHEMBL6638083 0.82 CTRB1 (0.52) CTRB1ELANEALDH1A1SMN1; SMN2KMT2A

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