SCHEMBL11686018

SCHEMBL11686018

CCOCN1C2=C(C(=O)CCC2)C(c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 4/20 0.50
CYP2C9 P11712 4/20 0.50
ELANE P08246 3/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 1/20 0.44
CACNA1F O60840 3/20 0.43

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
SCHEMBL11686847 0.87 CYP3A4 (0.59) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL9510843 0.77 CACNA1F (0.52) KMT2AMEN1CYP3A4CYP2C9TSHR
SCHEMBL5233956 0.74 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL7814727 0.74 ABCC9 (0.60) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL8323187 0.73 MEN1 (0.54) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL7286552 0.73 CYP1A2 (0.57) KMT2AMEN1CYP3A4CYP2C9TSHR
SCHEMBL7286542 0.73 CYP1A2 (0.57) KMT2AMEN1CYP3A4CYP2C9TSHR
SCHEMBL8192331 0.73 MEN1 (0.53) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL11687260 0.72 MAPT (0.70) KMT2AMEN1CYP3A4CYP2C9TSHR
SCHEMBL9033028 0.72 CYP1A2 (0.72) KMT2AMEN1CYP3A4CYP2C9TSHR

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
US-4021434-A CEREBRAL VASODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US disclosed