SCHEMBL30228093

SCHEMBL30228093

Cc1ccccc1-c1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCS(=O)(=O)CC3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ HPGD P15428 5/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KMT2A Q03164 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ AR P10275 1/20 0.48
▸ PTGS2 P35354 1/20 0.46
▸ ALDH2 P05091 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ IGLV6-57 P01721 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 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
SCHEMBL30228044 0.91 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL20839088 0.91 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL30058097 0.91 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL20839423 0.90 ALDH1A1 (0.63) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL20839424 0.90 ALDH1A1 (0.63) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL20839420 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL30055262 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL22406277 0.84 CYP3A4 (0.58) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL20839361 0.83 CYP3A4 (0.60) ALDH1A1HPGDKDM4ECYP3A4CYP2C9
SCHEMBL30055773 0.83 CYP3A4 (0.60) ALDH1A1HPGDKDM4ECYP3A4CYP2C9

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 3 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-2023034346-A1 CHROMEN-2-ONE 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
Send feedback