SCHEMBL8847351

SCHEMBL8847351

O=C(O)c1c[n+]([O-])c(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NOTUM Q6P988 1/20 0.31
AKR1C3 P42330 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TSHR P16473 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 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
SCHEMBL8847286 0.75 KMT2A (0.39) HCAR2ALDH1A1ALOX15CYP1A2MEN1
SCHEMBL8847197 0.72 ALDH1A1 (0.36) ALDH1A1ALOX15CYP1A2MEN1KMT2A
SCHEMBL836706 0.71 LDHA (0.39) HCAR2ALDH1A1ALOX15MEN1KMT2A
SCHEMBL836705 0.71 LDHA (0.39) HCAR2ALDH1A1ALOX15MEN1KMT2A
SCHEMBL3515862 0.69 HCAR2 (0.37) HCAR2ALDH1A1ALOX15CYP1A2MEN1
SCHEMBL3515866 0.69 HCAR2 (0.37) HCAR2ALDH1A1ALOX15CYP1A2MEN1
SCHEMBL8847241 0.69 HSD17B10 (0.39) HCAR2ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8847156 0.68 MEN1 (0.38) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL9812600 0.67 CSNK2A1 (0.42) HCAR2ALDH1A1MEN1KMT2ANOTUM
SCHEMBL8847299 0.65 HCAR2 (0.36) HCAR2ALDH1A1ALOX15CYP1A2MEN1

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
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
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