SCHEMBL30231748

SCHEMBL30231748

Cc1cc(OC(C)C)cc2oc(=O)cc(-c3ccccc3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.66
▸ HPGD P15428 3/20 0.66
▸ ABCB1 P08183 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPT P10636 7/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 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
SCHEMBL25449219 0.79 MAPT (0.77) ALDH1A1HPGDMAPK1ALOX15TSHR
SCHEMBL4482108 0.79 SMN1; SMN2 (0.66) ALDH1A1HPGDABCB1MAPK1ALOX15
SCHEMBL27915651 0.79 ALDH1A1 (0.52) ALDH1A1HPGDABCB1MAPK1MAPT
SCHEMBL30231669 0.78 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL30231670 0.78 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL30231625 0.77 MAP1LC3B (0.74) ALDH1A1HPGDMAPK1ALOX15TSHR
SCHEMBL28805341 0.77 ABCB1 (0.50) ALDH1A1HPGDABCB1MAPK1TSHR
SCHEMBL21630173 0.75 ALDH1A1 (0.68) ALDH1A1HPGDMAPK1ALOX15TSHR
SCHEMBL30231539 0.74 IGLV6-57 (0.44) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL21629591 0.73 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1ALOX15TSHR

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-2023034340-A1 HYDROXY AND ALKOXY COUMARINS AS 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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