SCHEMBL30228279

SCHEMBL30228279

Cc1cc(O[C@H](C)C(=O)N2CCC[C@H](C(=O)O)C2)c2c(-c3ccc(F)cc3)cc(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31711159 1.00 ALDH1A1 (0.48) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL30228191 0.91 MAPT (0.55) ALDH1A1HPGDMAPTKDM4ENPSR1
SCHEMBL30227919 0.89 ALDH1A1 (0.53) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL30227915 0.80 ALDH1A1 (0.64) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL21629644 0.77 ALDH1A1 (0.60) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL20839111 0.76 CYP3A4 (0.61) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL30055582 0.76 CYP3A4 (0.61) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL20839108 0.76 CYP3A4 (0.61) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL30228241 0.76 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL30228252 0.76 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4ENPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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