SCHEMBL30231569

SCHEMBL30231569

Cc1ccccc1-c1cc(=O)oc2cc(O[C@@H](COCc3ccccc3)C(=O)O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ IGLV6-57 P01721 3/20 0.51
▸ MAOB P27338 2/20 0.51
▸ PPARG P37231 2/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ RECQL P46063 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ AR P10275 2/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL30231440 1.00 ALDH1A1 (0.51) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231491 1.00 ALDH1A1 (0.51) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231492 0.92 ALDH1A1 (0.53) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231395 0.92 ALDH1A1 (0.53) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231584 0.92 ALDH1A1 (0.53) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231607 0.91 IGLV6-57 (0.48) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231359 0.91 IGLV6-57 (0.48) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231448 0.91 IGLV6-57 (0.48) ALDH1A1HPGDIGLV6-57MAOBPPARG
SCHEMBL30231536 0.90 ALDH1A1 (0.54) ALDH1A1HPGDIGLV6-57PPARGPPARA
SCHEMBL30231271 0.88 ALDH1A1 (0.54) ALDH1A1HPGDIGLV6-57PPARGPPARA

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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