SCHEMBL9490715

SCHEMBL9490715

CC1CCC(=O)CC1.CC1CCCC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.38
TRIM33 Q9UPN9 2/20 0.38
THRB P10828 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
CRBN Q96SW2 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
POLB P06746 1/20 0.31
TLR4 O00206 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL441622 0.91
SCHEMBL857124 0.91
SCHEMBL22708 0.91
SCHEMBL38785 0.91
SCHEMBL7908923 0.89 KMT2A (0.46) TRIM24TRIM33THRBCA1CA2
SCHEMBL22235813 0.89 TRIM24 (0.50) TRIM24TRIM33THRBCA1CA2
Cyclohexanone SCHEMBL28845315 0.89 ALDH1A1 (0.50) TRIM24TRIM33THRBCA1CA2
Water SCHEMBL28084183 0.89
SCHEMBL27622 0.88 CA1 (0.60) TRIM24TRIM33THRBCA1CA2
SCHEMBL2689503 0.86 TRIM24 (0.50) TRIM24TRIM33THRBCA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361673-B1 COATING COMPOSITIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-17 EP disclosed
US-5077379-A Solvent resistance ICI PLC (GB) 1991-12-31 US disclosed
EP-0361673-A1 Coating compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-04 EP disclosed
US-3951964-A Method for preparing azines PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-04-20 US disclosed