SCHEMBL6636873

SCHEMBL6636873

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C(=O)N(C)CCc3ccccn3)C3CCCCC3)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
ELANE P08246 1/20 0.49
PTGFR P43088 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
PDE7B Q9NP56 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD11B1 P28845 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OGFRL1 Q5TC84 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
SCHEMBL6637057 0.93 ELANE (0.51) CTRB1ELANEPDE7BRAB9AKDM4E
SCHEMBL6637536 0.89 CTRB1 (0.50) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6637280 0.89 ELANE (0.48) CTRB1ELANE
SCHEMBL6638226 0.88 CTRB1 (0.48) CTRB1ELANE
SCHEMBL6638897 0.85 CTRB1 (0.54) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6637784 0.84 ELANE (0.61) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6713458 0.84 ELANE (0.53) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6635359 0.84 ELANE (0.55) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6713490 0.84 CTRB1 (0.58) CTRB1ELANEPTGFRMEN1KMT2A
SCHEMBL6634622 0.83 CTRB1 (0.56) CTRB1ELANEPTGFRMEN1KMT2A

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