SCHEMBL6636032

SCHEMBL6636032

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCC(C(=O)NCc3ccccn3)c3ccccc3)oc(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.59
ELANE P08246 4/20 0.59
KMT2A Q03164 5/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6636501 0.94 CTRB1 (0.58) CTRB1ELANEKMT2ASMN1; SMN2MEN1
SCHEMBL6635623 0.93 CTRB1 (0.60) CTRB1ELANEKMT2APKMSMN1; SMN2
SCHEMBL6635647 0.89 ELANE (0.60) CTRB1ELANE
SCHEMBL6639124 0.88 ELANE (0.57) CTRB1ELANE
SCHEMBL6636103 0.88 CTRB1 (0.57) CTRB1ELANESMN1; SMN2ALDH1A1HTT
SCHEMBL6635955 0.86 ELANE (0.56) CTRB1ELANEKMT2AMAPTMEN1
SCHEMBL6634622 0.86 CTRB1 (0.56) CTRB1ELANEKMT2ASMN1; SMN2MEN1
SCHEMBL6638186 0.85 CTRB1 (0.62) CTRB1ELANEKMT2APKMMEN1
SCHEMBL6633866 0.84 CTRB1 (0.53) CTRB1ELANEKMT2APKMSMN1; SMN2
SCHEMBL6638871 0.82 ELANE (0.61) CTRB1ELANEKMT2AMEN1ALDH1A1

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