SCHEMBL30228372

SCHEMBL30228372

Cc1cccc(C)c1-c1cc(=O)oc2cc(N(C)[C@H](C)CC(=O)O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 7/20 0.45
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 5/20 0.40
▸ GLA P06280 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B3 P37058 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA12 O43570 1/20 0.38

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
SCHEMBL30228341 1.00 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL31710698 1.00 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL30227929 0.90 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL30228311 0.90 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL30228142 0.90 IGLV6-57 (0.45) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL30227948 0.83 IGLV6-57 (0.51) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL30228295 0.81 IGLV6-57 (0.49) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL30228185 0.78 IGLV6-57 (0.51) IGLV6-57ALDH1A1HPGDGLACYP3A4
SCHEMBL31710449 0.78 ALDH1A1 (0.48) ALDH1A1HPGDGLAHSD17B10L3MBTL1
SCHEMBL30228074 0.78 ALDH1A1 (0.48) ALDH1A1HPGDGLAHSD17B10L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
Send feedback