SCHEMBL9265200

SCHEMBL9265200

O=C(Cc1ccccc1C(=O)O)Nc1cccc(/C=C/c2nc(C3CCCCCC3)cs2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.68
CYP3A4 P08684 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53 P04637 1/20 0.62
ADRB1 P08588 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
PTGS1 P23219 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HSD17B10 Q99714 1/20 0.62
RORC P51449 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
LMNA P02545 1/20 0.36
CTPS1 P17812 1/20 0.36
EPHX2 P34913 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
SCHEMBL9265207 1.00 ALB (0.68) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9265648 1.00 ALB (0.68) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9265625 1.00 ALB (0.68) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9262981 1.00 ALB (0.68) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9262988 1.00 ALB (0.68) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9260599 0.99 ALB (0.69) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9260588 0.99 ALB (0.69) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9094074 0.97 ALB (0.69) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9094063 0.97 ALB (0.69) ALBCYP3A4MEN1KMT2AKDM4E
SCHEMBL9264856 0.97 ALB (0.68) ALBCYP3A4MEN1KMT2AKDM4E

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-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 EP claimed
US-5399702-A Leukotriene antagonists; antiasthmatic, antiallergen, and antianaphylactic agents HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
EP-0577003-A1 Thiazolylvinylphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-01-05 EP disclosed
US-5273986-A A substituted phenylalkyleneamidophenyleneethylene thiazole HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed