SCHEMBL30227915

SCHEMBL30227915

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.64
▸ HPGD P15428 8/20 0.64
▸ HSD17B10 Q99714 5/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ MAPT P10636 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 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
SCHEMBL5332450 0.90 ALDH1A1 (0.78) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL30228252 0.89 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL30228241 0.89 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL30227919 0.84 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL30231669 0.83 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL30231670 0.83 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL31711159 0.80 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL30228279 0.80 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL30228362 0.76 ALDH1A1 (0.75) ALDH1A1HPGDMAPTSMN1; SMN2MAPK1
SCHEMBL21630173 0.73 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EKMT2AMAPK1

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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