SCHEMBL24215419

SCHEMBL24215419

C=CCC(CCOCc1ccccc1)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ TACR1 P25103 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ FOLH1 Q04609 1/20 0.38
▸ TEAD3 Q99594 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ TPO P07202 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL24215056 1.00 CA1 (0.45) CA1CA2CA7CA9TDP1
SCHEMBL7631267 0.86 TSHR (0.41) CA1CA2CA7CA9TDP1
SCHEMBL18391961 0.83 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL2878217 0.83 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL1663117 0.83 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL1663119 0.83 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL1664059 0.83 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL1975300 0.79 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL1975297 0.79 CA1 (0.46) CA1CA2CA7CA9TDP1
SCHEMBL2882825 0.79 TDP1 (0.45) CA1CA2CA7CA9TDP1

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-2022016195-A1 PROCESSES FOR THE PREPARATION OF ARGINASE INHIBITORS AND THEIR SYNTHETIC INTERMEDIATES INCYTE CORPORATION (US) 2022-01-20 — — WO disclosed
Send feedback