SCHEMBL30231695

SCHEMBL30231695

CCOC(=O)CCOc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.58
▸ HPGD P15428 8/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ MAPT P10636 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ GLA P06280 2/20 0.49
▸ THRB P10828 1/20 0.47
▸ AR P10275 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAOA P21397 1/20 0.47

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
SCHEMBL30231690 0.88 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AMAPTL3MBTL1
SCHEMBL30231545 0.86 MAPT (0.57) ALDH1A1HPGDKMT2AMAPTL3MBTL1
SCHEMBL30231662 0.85 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AMAPTL3MBTL1
SCHEMBL30231614 0.85 HPGD (0.60) ALDH1A1HPGDKMT2AMAPTL3MBTL1
SCHEMBL30227924 0.83 KCNA3 (0.46) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL30231961 0.82 MAPT (0.56) ALDH1A1HPGDKMT2AMAPTL3MBTL1
SCHEMBL30231772 0.81 ALDH1A1 (0.74) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL20839098 0.81 ALDH1A1 (0.64) ALDH1A1HPGDKMT2AL3MBTL1KDM4E
SCHEMBL30231266 0.81 SIGMAR1 (0.57) ALDH1A1HPGDKMT2AMAPTL3MBTL1
SCHEMBL30231661 0.78 AR (0.61) ALDH1A1HPGDKMT2AL3MBTL1KDM4E

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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