SCHEMBL30228399

SCHEMBL30228399

Cc1cc(F)ccc1-c1cc(=O)oc2cc(N(C)CC(=O)NCCO)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGLV6-57 P01721 6/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NR2E3 Q9Y5X4 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ ESR1 P03372 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37

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
SCHEMBL30228469 0.93 IGLV6-57 (0.43) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228113 0.88 IGLV6-57 (0.45) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228247 0.84 CA12 (0.41) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228027 0.83 IGLV6-57 (0.40) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228420 0.81 KCNA3 (0.41) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228135 0.79 IGLV6-57 (0.44) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228277 0.79 IGLV6-57 (0.38) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228253 0.78 IGLV6-57 (0.43) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228423 0.76 IGLV6-57 (0.45) IGLV6-57ALDH1A1GLACYP3A4HPGD
SCHEMBL30228289 0.75 IGLV6-57 (0.48) IGLV6-57ALDH1A1GLACYP3A4HPGD

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