SCHEMBL30231867

SCHEMBL30231867

COC(=O)C(O)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ MIF P14174 1/20 0.45

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
SCHEMBL13733029 1.00 CA1 (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL29097257 1.00 CA1 (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL13733023 1.00 CA1 (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL11402438 0.86 CA1 (0.54) CA1CA2CA7CA9KMT2A
SCHEMBL27302240 0.86 CA1 (0.54) CA1CA2CA7CA9KMT2A
SCHEMBL19532528 0.86 CA1 (0.54) CA1CA2CA7CA9KMT2A
SCHEMBL29926136 0.85 MMP2 (0.41) CA1CA2CA7CA9KMT2A
SCHEMBL1785824 0.85 CA1 (0.50) CA1CA2CA7CA9KMT2A
SCHEMBL1785822 0.85 CA1 (0.50) CA1CA2CA7CA9KMT2A
SCHEMBL4909047 0.83 KMT2A (0.49) 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
WO-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
WO-2023034339-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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