SCHEMBL9788246

SCHEMBL9788246

C=C[C@H](COCc1ccccc1)[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
TACR1 P25103 2/20 0.35
HTT P42858 2/20 0.34
CASR P41180 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARA Q07869 1/20 0.33
GHSR Q92847 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
SCHEMBL13595500 0.81 CA1 (0.41) CA1CA2CA7CA9KMT2A
SCHEMBL13595460 0.78 CA1 (0.38) CA1CA2CA7CA9KMT2A
SCHEMBL7226223 0.78 TDP1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL13595496 0.78 CA1 (0.38) CA1CA2CA7CA9KMT2A
SCHEMBL2569081 0.76 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL27318265 0.75 TSHR (0.36) CA1CA2CA7CA9KMT2A
SCHEMBL8820518 0.75 CA1 (0.39) CA1CA2CA7CA9KMT2A
SCHEMBL4570494 0.74 CA1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL15524705 0.74 CA1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL15524706 0.74 CA1 (0.42) CA1CA2CA7CA9KMT2A

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
JP-3279381-A None JP disclosed
JP-H03279381-A 5-(OXETANOSYL)PYRIMIDINE DERIVATIVE AND PRODUCTION THEREOF NIPPON KAYAKU CO LTD 1991-12-10 JP disclosed