SCHEMBL30231614

SCHEMBL30231614

Cc1ccccc1-c1cc(=O)oc2cc(OCCO)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.60
▸ ALDH1A1 P00352 7/20 0.60
▸ USP2 O75604 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAOB P27338 3/20 0.57
▸ MAPT P10636 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.54
▸ LMNA P02545 2/20 0.53
▸ CA9 Q16790 2/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ MAOA P21397 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52

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
SCHEMBL30231545 0.89 MAPT (0.57) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL30231961 0.88 MAPT (0.56) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL30231690 0.87 ALDH1A1 (0.58) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL12886696 0.86 ALDH1A1 (0.77) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL30231266 0.86 SIGMAR1 (0.57) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL30231772 0.85 ALDH1A1 (0.74) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL30231695 0.85 ALDH1A1 (0.58) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL30231662 0.85 ALDH1A1 (0.53) HPGDALDH1A1USP2SMN1; SMN2MAOB
SCHEMBL6589340 0.83 MAOB (0.68) HPGDALDH1A1SMN1; SMN2MAOBMAPT
SCHEMBL30231621 0.82 ALDH1A1 (0.52) HPGDALDH1A1USP2SMN1; SMN2MAOB

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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