SCHEMBL30797243

SCHEMBL30797243

COC(=O)CC(C)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
KCNA5 P22460 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 2/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL2386328 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL22950649 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL2386329 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL27470015 0.85 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL5028021 0.83 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL4124188 0.83 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL5861572 0.83 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL2705958 0.83 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL22975094 0.83 LMNA (0.47) TSHRALDH1A1CYP3A4ALOX15ALOX12
SCHEMBL11334412 0.83 SAE1 (0.45) TSHRALDH1A1CYP3A4ALOX15HSD17B10

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-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed