SCHEMBL30231646

SCHEMBL30231646

Cc1cc(O[C@H](C)C(=O)N(C)C)cc2oc(=O)cc(-c3ccc(F)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 5/20 0.46
▸ HPGD P15428 6/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ALDH2 P05091 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AR P10275 1/20 0.39
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL30231670 0.89 ALDH1A1 (0.57) ALDH1A1MAPTHPGDKDM4ERECQL
SCHEMBL30231669 0.89 ALDH1A1 (0.57) ALDH1A1MAPTHPGDKDM4ERECQL
SCHEMBL30231686 0.86 ALDH1A1 (0.49) ALDH1A1MAPTHPGDKDM4ERECQL
SCHEMBL30228241 0.84 ALDH1A1 (0.57) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL21629598 0.82 ALDH1A1 (0.54) ALDH1A1MAPTHPGDKDM4ERECQL
SCHEMBL30231689 0.82 ALDH1A1 (0.50) ALDH1A1MAPTHPGDKDM4ERECQL
SCHEMBL30231429 0.74 MAP1LC3B (0.55) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL21629535 0.73 ALDH1A1 (0.79) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL21629532 0.73 ALDH1A1 (0.79) ALDH1A1HPGDKDM4ERECQLAR
SCHEMBL30231748 0.73 ALDH1A1 (0.66) ALDH1A1MAPTHPGDKDM4EMAPK1

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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