SCHEMBL7008720

SCHEMBL7008720

CCCOc1ccc(C(=O)O)cc1C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.57
CREBBP Q92793 2/20 0.56
GRM2 Q14416 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CA9 Q16790 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1749820 0.92 PTPN11 (0.63) PTPN11CREBBPGRM2ALDH1A1HPGD
SCHEMBL6196393 0.88 PTPN11 (0.57) PTPN11CREBBPHDAC1HDAC8HDAC6
SCHEMBL5874111 0.87 CREBBP (0.67) PTPN11CREBBPKMT2AALDH1A1HPGD
SCHEMBL7009423 0.86 PTPN11 (0.56) PTPN11CREBBPKMT2AALDH1A1HPGD
SCHEMBL14972690 0.86 PTPN11 (0.56) PTPN11CREBBPKMT2AALDH1A1HPGD
SCHEMBL7009493 0.85 PTPN11 (0.54) PTPN11CREBBPKMT2AALDH1A1HPGD
SCHEMBL7644581 0.85 HDAC1 (0.51) CREBBPALDH1A1HPGDCA9HDAC1
SCHEMBL7011266 0.84 PTPN11 (0.53) PTPN11CREBBPKMT2AALDH1A1HPGD
SCHEMBL2563466 0.84 PTPN11 (0.53) PTPN11CREBBPKMT2AALDH1A1HPGD
SCHEMBL566516 0.83 POLB (0.66) PTPN11CREBBPKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
US-6479520-B1 REGULATING APOPTOSIS IN HUMAN CELLS WITH COMPOUNDS SUCH AS: 3-CYANO-6-(2-METHOXY-4-METHYLTHIOIPHENYL)-2(1H)-PYRIDINONE CELL PATHWAYS, INC. 2002-11-12 US disclosed
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
US-6046216-A USEFUL TO INHIBIT THE GROWTH OF NEOPLASTIC CELLS. CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP disclosed