SCHEMBL12424847

SCHEMBL12424847

CCCCC(CC)Cc1ccc(C2=C3C(=O)NC(c4ccccc4)=C3C(=O)N2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.40
ACE P12821 5/20 0.40
CPA1 P15085 5/20 0.40
ACE2 Q9BYF1 5/20 0.40
BDKRB2 P30411 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.34
PTGS2 P35354 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
BRS3 P32247 1/20 0.34
ITGB1 P05556 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
SCHEMBL12424848 0.95 BDKRB2 (0.40) MMEACECPA1ACE2BDKRB2
SCHEMBL18092320 0.82 BDKRB2 (0.51) MMEACECPA1ACE2BDKRB2
SCHEMBL25028100 0.80 HSD11B1 (0.50) MEN1KMT2AMAPTALDH1A1PTGS2
SCHEMBL16492016 0.76 CYP3A4 (0.39) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL3466390 0.76 ALDH1A1 (0.49) ALDH1A1CA2CYP3A4KDM4E
Water SCHEMBL28872920 0.74 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4KDM4E
SCHEMBL153634 0.74 BDKRB2 (0.48) BDKRB2L3MBTL1ALDH1A1CA2CYP3A4
SCHEMBL13917471 0.73 RARB (0.47) MEN1KMT2AMAPTALDH1A1CA2
SCHEMBL23139200 0.71 ALDH1A1 (0.42) MMEACECPA1ACE2BDKRB2
SCHEMBL10042883 0.71 ALDH1A1 (0.42) MMEACECPA1ACE2BDKRB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed