SCHEMBL30231607

SCHEMBL30231607

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 2/20 0.48
▸ MAOB P27338 3/20 0.48
▸ MAOA P21397 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACHE P22303 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ AR P10275 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43

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
SCHEMBL30231448 1.00 IGLV6-57 (0.48) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30231569 0.91 ALDH1A1 (0.51) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30231491 0.91 ALDH1A1 (0.51) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30231440 0.91 ALDH1A1 (0.51) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30231584 0.88 ALDH1A1 (0.53) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30231492 0.88 ALDH1A1 (0.53) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30231395 0.88 ALDH1A1 (0.53) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30232081 0.88 ALDH1A1 (0.47) IGLV6-57RAB9AALDH1A1HPGDKDM4E
SCHEMBL30231359 0.88 IGLV6-57 (0.48) IGLV6-57MAOBMAOANPC1CASP3
SCHEMBL30231498 0.86 ALDH1A1 (0.51) IGLV6-57RAB9AALDH1A1HPGDKDM4E

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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