SCHEMBL26590835

SCHEMBL26590835

COC(=O)C1CCC2C(=O)N(C)C(=O)C2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
ADORA1 P30542 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL26590836 0.84 BRD4 (0.38) BRD4CYP1A2HIF1ATP53CHRNB2
SCHEMBL19263933 0.81 ACHE (0.30) ALDH1A1MAPT
SCHEMBL10098932 0.80 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26590838 0.76 BRD4 (0.39) BRD4CYP1A2HIF1ATP53CHRNB2
SCHEMBL12203785 0.75 BRD4 (0.38) BRD4CYP1A2HIF1ATP53CHRNB2
SCHEMBL12203782 0.75 BRD4 (0.38) BRD4CYP1A2HIF1ATP53CHRNB2
SCHEMBL2521679 0.75 BRD4 (0.38) BRD4CYP1A2HIF1ATP53CHRNB2
SCHEMBL24906947 0.73 CHRNB2 (0.52) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL13738413 0.73 CHRNB2 (0.52) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL31196378 0.73 CHRNB2 (0.52) BRD4TP53CHRNB2CHRNA4CHRNB4

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
US-20230331917-A1 BISIMIDE PHENOL COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-10-19 US disclosed