SCHEMBL9709906

SCHEMBL9709906

C=CCC(CCCC#N)COC(=O)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9732893 0.76 MAPT (0.39) TSHR
SCHEMBL9709901 0.73 SLC1A2 (0.38)
SCHEMBL9435413 0.72 CYP3A4 (0.31) TSHRCYP3A4ATMTDP1
SCHEMBL9709877 0.72 KMT2A (0.40) TSHRCYP3A4ATMTDP1
SCHEMBL9709564 0.70 ALDH1A1 (0.38) TSHR
SCHEMBL9709607 0.70 NLRP3 (0.32)
SCHEMBL9709563 0.69 CA1 (0.42) TDP1
SCHEMBL27230119 0.67 TSHR (0.39) TSHRCYP3A4ATMTDP1
SCHEMBL5677958 0.67 GRIK1 (0.46)
SCHEMBL25185267 0.66 TSHR (0.53) TSHRCYP3A4ATMTDP1

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