SCHEMBL30231617

SCHEMBL30231617

CNC(=O)C(CO)Oc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ HPGD P15428 6/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ AR P10275 2/20 0.48
▸ USP2 O75604 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ IGLV6-57 P01721 3/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ ALDH2 P05091 1/20 0.45

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
SCHEMBL30231585 1.00 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231512 0.90 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231874 0.90 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231519 0.89 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231326 0.89 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231666 0.89 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231757 0.89 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231515 0.89 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231436 0.89 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL30231735 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHTTLMNA

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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