SCHEMBL29734497

SCHEMBL29734497

COc1cc([C@@H](c2ccccc2)C2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccc1OCCF

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ NR3C2 P08235 8/20 0.42
▸ NR3C1 P04150 3/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL22491401 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491358 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734507 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491356 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491372 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734631 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734348 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491369 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491325 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734495 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2

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
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP claimed
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