SCHEMBL30228225

SCHEMBL30228225

Cc1cccc(C)c1-c1cc(=O)oc2cc(O[C@H](C)C(=O)O)ccc12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.73
▸ HPGD P15428 8/20 0.73
▸ KDM4E B2RXH2 6/20 0.67
▸ RECQL P46063 2/20 0.67
▸ AR P10275 1/20 0.58
▸ ALDH2 P05091 1/20 0.56
▸ HSD17B10 Q99714 2/20 0.53
▸ IGLV6-57 P01721 2/20 0.53
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL30228258 0.89 ALDH2 (0.73) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL30228298 0.88 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL20839059 0.88 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL20839056 0.88 ALDH1A1 (0.77) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL26104548 0.87 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL21629541 0.84 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL21629540 0.84 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL22431698 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL22431741 0.82 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL30228044 0.81 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ERECQLAR

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 3 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-2023034346-A1 CHROMEN-2-ONE 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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