SCHEMBL9709877

SCHEMBL9709877

C=CCC(CCCC#N)CCC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
TSHR P16473 5/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
GAA P10253 2/20 0.33
CYP2C9 P11712 1/20 0.31
MGAM O43451 1/20 0.31

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
SCHEMBL1879598 0.83 KMT2A (0.46) KMT2ATSHRPOLBCYP3A4TDP1
SCHEMBL9732893 0.79 MAPT (0.39) KMT2ATSHRCYP1A2MEN1ALDH1A1
SCHEMBL6670792 0.77 CYP1A2 (0.53) KMT2ATSHRPOLBCYP3A4TDP1
SCHEMBL9355150 0.75 CYP1A2 (0.52) KMT2ATSHRCYP3A4TDP1CYP1A2
SCHEMBL9355503 0.75 CYP1A2 (0.52) KMT2ATSHRCYP3A4TDP1CYP1A2
SCHEMBL9355058 0.75 CYP1A2 (0.52) KMT2ATSHRCYP3A4TDP1CYP1A2
SCHEMBL3052283 0.75 CYP1A2 (0.52) KMT2ATSHRCYP3A4TDP1CYP1A2
SCHEMBL8657397 0.75 CYP1A2 (0.52) KMT2ATSHRCYP3A4TDP1CYP1A2
SCHEMBL9351131 0.75 CYP1A2 (0.52) KMT2ATSHRCYP3A4TDP1CYP1A2
SCHEMBL9355489 0.75 CYP1A2 (0.52) KMT2ATSHRCYP3A4TDP1CYP1A2

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
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed