SCHEMBL8030875

SCHEMBL8030875

C=CC(C)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
TSHR P16473 1/20 0.50
TACR1 P25103 3/20 0.46
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
SLC1A1 P43005 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5228321 0.81 TSHR (0.50) CA1CA2CA7CA9TSHR
SCHEMBL7627184 0.81 TSHR (0.50) CA1CA2CA7CA9TSHR
SCHEMBL121000 0.81 TSHR (0.50) CA1CA2CA7CA9TSHR
SCHEMBL2997913 0.81 TACR1 (0.58) CA1CA2CA7CA9TSHR
SCHEMBL22918182 0.81 KMT2A (0.56) CA1CA2CA7CA9TSHR
SCHEMBL2997911 0.81 TACR1 (0.58) CA1CA2CA7CA9TSHR
SCHEMBL13267636 0.81 TACR1 (0.58) CA1CA2CA7CA9TSHR
SCHEMBL8059580 0.81 KMT2A (0.56) CA1CA2CA7CA9TSHR
SCHEMBL8059538 0.80 KMT2A (0.48) CA1CA2CA7CA9TSHR
SCHEMBL7649738 0.79 CA1 (0.49) CA1CA2CA7CA9TSHR

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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed