SCHEMBL30769248

SCHEMBL30769248

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(Br)cc3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.55
RORC P51449 3/20 0.50
GPR119 Q8TDV5 8/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
ESRRB O95718 1/20 0.48
ESR1 P03372 1/20 0.48
ESRRA P11474 1/20 0.48
ESRRG P62508 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SCD5 Q86SK9 1/20 0.46
HDAC2 Q92769 1/20 0.45
ACACB O00763 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL21963775 0.94 CYP11B2 (0.52) CYP11B2RORCGPR119ALDH1A1LMNA
SCHEMBL23539079 0.94 GPR119 (0.49) CYP11B2RORCGPR119ALDH1A1LMNA
SCHEMBL26101978 0.92 MAPK1 (0.54) CYP11B2RORCGPR119ALDH1A1LMNA
SCHEMBL22805048 0.89 CYP3A4 (0.55) CYP11B2RORCGPR119ALDH1A1LMNA
SCHEMBL485607 0.88 HDAC2 (0.58) CYP11B2RORCGPR119ALDH1A1LMNA
SCHEMBL484886 0.88 CYP11B2 (0.55) CYP11B2GPR119ALDH1A1LMNAMAPT
SCHEMBL485392 0.86 CYP11B2 (0.54) CYP11B2GPR119ALDH1A1LMNAMAPT
SCHEMBL22804442 0.85 CYP3A4 (0.50) CYP11B2RORCGPR119ALDH1A1LMNA
SCHEMBL485220 0.85 CYP11B2 (0.53) CYP11B2RORCGPR119ALDH1A1LMNA
SCHEMBL484102 0.85 HIF1A (0.63) CYP11B2ALDH1A1CYP3A4CYP2C19MEN1

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-4543871-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-04-30 EP disclosed
WO-2024006781-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed