SCHEMBL30231629

SCHEMBL30231629

CCCOc1ccc2c(-c3ccccc3C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.55
▸ AGER Q15109 2/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA6 P23280 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49
▸ PPARA Q07869 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ USP2 O75604 1/20 0.48

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
SCHEMBL30231521 0.86 AR (0.55) ARAGERCA12CA1CA2
SCHEMBL30231545 0.84 MAPT (0.57) CA12CA1CA2CA6CA5A
SCHEMBL30231424 0.82 KCNA3 (0.53) CA12CA1CA2CA6CA5A
SCHEMBL12722470 0.81 MAOB (0.71) CA12CA1CA2CA6CA5A
SCHEMBL30231574 0.79 CA12 (0.50) CA12CA1CA2CA6CA5A
SCHEMBL28722650 0.76 MAOB (0.71) CA12CA1CA2CA6CA7
SCHEMBL3078232 0.76 CA12 (0.69) CA12CA9ALDH1A1HPGDKMT2A
SCHEMBL30231399 0.76 CA12 (0.52) CA12CA1CA2CA6CA5A
SCHEMBL30231641 0.76 CA12 (0.49) ARCA12CA1CA2CA6
SCHEMBL238765 0.74 AGER (0.70) ARAGER

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-2023034339-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
WO-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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