SCHEMBL11077787

SCHEMBL11077787

C=C(C[C](C)C1OCCO1)c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CCR2 P41597 1/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRB1 P18505 2/20 0.37
GABRB2 P47870 2/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
ERCC5 P28715 1/20 0.36

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
SCHEMBL18484513 0.77 GABRA1 (0.50) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL11077794 0.74 ALDH1A1 (0.39) MEN1KMT2AKDM4EMAPTCCR2
SCHEMBL10596385 0.70 CYP3A4 (0.38) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL8091206 0.70 POLB (0.49) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL25993850 0.69 KDM4E (0.44) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL13689698 0.68 MEN1 (0.59) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL9664124 0.67 ALDH1A1 (0.50) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL992504 0.67 ALDH1A1 (0.48) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL10455909 0.65 ALDH1A1 (0.50) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL10781975 0.65 TSHR (0.41) MEN1KMT2AKDM4EMAPTPOLB

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-0111146-A2 Anti-mycotic hydroxyalkyl-azolyl derivatives BAYER AG (DE) 1984-06-20 EP disclosed