SCHEMBL27725899

SCHEMBL27725899

C#Cc1cccc(C#C)c1.c1cc2ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.41
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL1502312 0.91 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL10481162 0.88 CA12 (0.52) CA12CA1CA2CA9CA14
SCHEMBL3843982 0.85 CA12 (0.42) CA12CA1CA2CA9CA14
SCHEMBL11352929 0.85 TAAR1 (0.52) CA12CA1CA2CA9CA14
SCHEMBL11384287 0.84 TAAR1 (0.45) CA12CA1CA2CA9CA14
SCHEMBL3841296 0.83 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL236903 0.82 MAOA (0.44) CA12CA1CA2CA9CA14
SCHEMBL31587940 0.82 MAOA (0.44) CA12CA1CA2CA9CA14
SCHEMBL28419552 0.81 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL27777149 0.80 ALDH1A1 (0.48) CA12CA1CA2CA9CA14

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
CN-101203490-B Reactive monomer and resin composition containing same AMT LAB CO LTD 2011-08-10 CN disclosed
CN-101203490-A Reactive monomer and resin composition containing same AMT LAB CO LTD (JP) 2008-06-18 CN disclosed