SCHEMBL8847299

SCHEMBL8847299

O=C(O)c1cc(C(=O)O)[n+]([O-])cc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NOTUM Q6P988 1/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL8847198 0.67 CA1 (0.36) ALDH1A1KDM4EHSD17B10HPGDALOX15
Pyromellitic Acid SCHEMBL22443 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDALOX15
Pyromellitic Acid SCHEMBL22127 0.66 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL3646701 0.65 KMT2A (0.48) ALDH1A1ALOX15MEN1KMT2ACA12
SCHEMBL8847351 0.65 HCAR2 (0.32) HCAR2ALDH1A1ALOX15CYP1A2MEN1
SCHEMBL16724448 0.64 CA12 (0.38) HCAR2ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL14152551 0.64 TSHR (0.41) HCAR2ALDH1A1ALOX15MEN1KMT2A
SCHEMBL18132250 0.64 BCL2L1 (0.38) HCAR2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14152686 0.64 HCAR2 (0.43) HCAR2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2977543 0.64 KDM4E (0.39) HCAR2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603557-B1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM CO (US) 1997-07-30 EP disclosed
US-5461126-A Process of polymerizing olefins using organonickel catalyst compositions PHILLIPS PETROLEUM COMPANY (US) 1995-10-24 US disclosed
CN-1091999-A Carbon monoxide-olefin polymeric and Catalytic processes PHILLIPS PETROLEUM CO (US) 1994-09-14 CN disclosed
US-5332708-A Ethylene polymerization catalyst, organonickel compound and a heterocyclic nitrogen compound PHILLIPS PETROLEUM COMPANY (US) 1994-07-26 US disclosed
EP-0603557-A1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM COMPANY (US) 1994-06-29 EP disclosed