SCHEMBL8847117

SCHEMBL8847117

O=S(=O)(O)c1cc(S(=O)(=O)O)c(S(=O)(=O)O)nc1S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ FABP3 P05413 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TTR P02766 1/20 0.30
▸ TET2 Q6N021 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 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
SCHEMBL5405936 0.76 TSHR (0.38) HSD17B10ALDH1A1CYP2C19CASP1CASP7
SCHEMBL5439062 0.75 ALDH1A1 (0.46) ALDH1A1CYP2C19TDP1CYP2C9
SCHEMBL251572 0.70 CYP1A2 (0.37) HSD17B10CYP2C19CYP1A2
SCHEMBL8847257 0.70 KDM4E (0.47) HSD17B10ALDH1A1CYP2C19TDP1CYP2C9
SCHEMBL8847163 0.69 FABP3 (0.33) FABP3FABP4FABP5
SCHEMBL27416843 0.67 FABP3 (0.38) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL564054 0.67 HSD17B10 (0.44) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL1224928 0.67 PGAM1 (0.53) HSD17B10ALDH1A1CASP1CASP7TDP1
SCHEMBL3395151 0.65 BRD4 (0.52) HSD17B10ALDH1A1TDP1CASP6
SCHEMBL5443614 0.65 CA1 (0.43) HSD17B10ALDH1A1CASP1TDP1TTR

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
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