SCHEMBL30231545

SCHEMBL30231545

CCCOc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 6/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ CA5B Q9Y2D0 1/20 0.53
▸ MAOB P27338 4/20 0.53
▸ MAOA P21397 3/20 0.53

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
SCHEMBL30231961 0.89 MAPT (0.56) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL30231614 0.89 HPGD (0.60) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL30231266 0.87 SIGMAR1 (0.57) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL30231690 0.86 ALDH1A1 (0.58) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL30231424 0.86 KCNA3 (0.53) MAPTL3MBTL1KMT2AALDH1A1HPGD
SCHEMBL30231695 0.86 ALDH1A1 (0.58) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL12722470 0.85 MAOB (0.71) RAB9AKMT2AMEN1ALDH1A1HPGD
SCHEMBL30231631 0.85 NOD2 (0.51) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL30231574 0.85 CA12 (0.50) MAPTL3MBTL1RAB9AKMT2AMEN1
SCHEMBL30231399 0.84 CA12 (0.52) MAPTL3MBTL1RAB9AKMT2AMEN1

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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