SCHEMBL31076338

SCHEMBL31076338

CC(C)(C)OC(=O)N1CC(Cc2cccc(Cl)c2Br)OC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.43
MAPK8 P45983 1/20 0.39
STS P08842 3/20 0.38
MAPT P10636 1/20 0.38
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
IL1B P01584 2/20 0.34
P2RX7 Q99572 2/20 0.34
NR1H2 P55055 1/20 0.34

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
SCHEMBL31076372 0.82 MAPT (0.43) MAPK8STSMAPTKEAP1NFE2L2
SCHEMBL31076409 0.80 RORC (0.39) RORCMAPK8NR1H2
SCHEMBL29126202 0.73 NR1H2 (0.48) RORCMAPTNR1H2
SCHEMBL24438534 0.73 NR1H2 (0.48) RORCMAPTNR1H2
SCHEMBL12526132 0.73 NR1H2 (0.48) RORCMAPTNR1H2
SCHEMBL21803365 0.72 STS (0.35) RORCSTSMAPTNR1H2
SCHEMBL28484617 0.72 NR1H2 (0.40) RORCMAPTNR1H2
SCHEMBL28476213 0.72 NR1H2 (0.40) RORCMAPTNR1H2
SCHEMBL26923824 0.72 NR1H2 (0.40) RORCMAPTNR1H2
SCHEMBL20769544 0.71 ANO1 (0.47) MAPK8STSMAPTKEAP1NFE2L2

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
EP-4642778-A1 LSD1 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed