SCHEMBL23129232

SCHEMBL23129232

CP(C)(=O)c1ccc(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.36
ACHE P22303 2/20 0.36
ESR1 P03372 4/20 0.36
ESR2 Q92731 3/20 0.36
BRD4 O60885 1/20 0.35
NR4A2 P43354 2/20 0.34
PLA2G2A P14555 1/20 0.34
PLA2G4A P47712 1/20 0.34
MAOB P27338 1/20 0.33
PRMT5 O14744 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
TSPO P30536 1/20 0.32
TRIM58 Q8NG06 1/20 0.32
GGPS1 O95749 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL23129231 1.00 TNKS2 (0.36) TNKS2ACHEESR1ESR2BRD4
SCHEMBL18893005 0.92 ACHE (0.41) ACHEESR1
SCHEMBL18893075 0.92 ACHE (0.41) ACHEESR1
SCHEMBL23129228 0.91 FEN1 (0.35) TNKS2ACHEESR1ESR2BRD4
SCHEMBL19002146 0.90 ACHE (0.36) TNKS2ACHEESR1NR4A2PLA2G2A
SCHEMBL18893041 0.90 ACHE (0.42) ACHEESR1ESR2
SCHEMBL23129227 0.89 ACHE (0.35) TNKS2ACHEESR1ESR2BRD4
SCHEMBL22019275 0.88 ESR1 (0.36) ACHEESR1
SCHEMBL22019686 0.87 CYP1A2 (0.35) TNKS2ACHEESR1ESR2BRD4
SCHEMBL15479331 0.87 LMNA (0.39) TNKS2ACHEESR1ESR2PLA2G2A

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-3406617-B1 USE OF PHOSPHINE OXIDE COMPOUNDS IN A SEMICONDUCTING LAYER COMPRISED IN AN ELECTRONIC DEVICE NOVALED GMBH (DE) 2021-03-24 EP disclosed