SCHEMBL7835865

SCHEMBL7835865

COC(=O)c1cc(C)c(CCC=O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
KDR P35968 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HPGD P15428 6/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 6/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DAO P14920 2/20 0.35

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
SCHEMBL7835479 0.87 ALDH1A1 (0.42) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL7832722 0.86 DAO (0.50) HPGDL3MBTL1TSHRALDH1A1KDM4E
SCHEMBL27869200 0.81 CSNK2A2 (0.40) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL7836036 0.80 CYP4A11 (0.44) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL16901555 0.79 HPGD (0.54) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL1978785 0.78 CSNK2A2 (0.45) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL7836985 0.75 CSNK2A2 (0.36) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL7831758 0.74 TDP1 (0.39) HPGDMAPK1L3MBTL1TSHRATM
SCHEMBL2063896 0.73 HPGD (0.40) CSNK2A2KDRCSNK2BCSNK2A1HPGD
SCHEMBL7431737 0.72 CSNK2A2 (0.43) CSNK2A2KDRCSNK2BCSNK2A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773943-B1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMA (US) 2001-09-26 EP disclosed
US-5646141-A THIENYLALKYLATED DERIVATIVES OF PYRIDO(2,3-D)-PYRIMIDINE, PYRIMIDO(5,4-6)-(1,4)THIAZINE OR PYRIMIDO(5,4-6)-(1,4)SELENAZINE AGOURON PHARMACEUTICALS, INC. (US) 1997-07-08 US disclosed
US-5608082-A GARFT = THE ENZYME GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE AGOURON PHARMACEUTICALS, INC. (US) 1997-03-04 US disclosed