SCHEMBL30231414

SCHEMBL30231414

COC[C@H](Oc1ccc2c(-c3ccccc3C)cc(=O)oc2c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.54
▸ HPGD P15428 7/20 0.54
▸ KDM4E B2RXH2 6/20 0.51
▸ RECQL P46063 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ IGLV6-57 P01721 4/20 0.49
▸ AR P10275 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH2 P05091 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 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
SCHEMBL30231415 1.00 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231699 1.00 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231271 1.00 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231679 0.91 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231379 0.91 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231486 0.91 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231536 0.90 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231436 0.89 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231515 0.89 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL30231757 0.89 ALDH1A1 (0.59) ALDH1A1HPGDKDM4ERECQLHTT

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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