SCHEMBL30231473

SCHEMBL30231473

COCC(Oc1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 2/20 0.54
▸ CA12 O43570 1/20 0.54
▸ ALDH1A1 P00352 8/20 0.53
▸ HPGD P15428 7/20 0.53
▸ KDM4E B2RXH2 4/20 0.49
▸ RECQL P46063 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 3/20 0.44
▸ KCNA3 P22001 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AR P10275 1/20 0.43
▸ IGLV6-57 P01721 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL30231671 0.91 CA12 (0.53) CA9CA12ALDH1A1HPGDKDM4E
SCHEMBL30231648 0.91 ALDH1A1 (0.53) CA9CA12ALDH1A1HPGDKDM4E
SCHEMBL22431754 0.90 CA9 (0.56) CA9CA12ALDH1A1HPGDKDM4E
SCHEMBL30231510 0.89 CA12 (0.51) CA9CA12ALDH1A1HPGDKDM4E
SCHEMBL30231628 0.89 CA12 (0.51) CA9CA12ALDH1A1HPGDKDM4E
SCHEMBL30231271 0.89 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231699 0.89 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231415 0.89 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231414 0.89 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231495 0.87 ALDH1A1 (0.47) CA9CA12ALDH1A1HPGDKDM4E

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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