SCHEMBL5596136

SCHEMBL5596136

Oc1ccc2ccccc2c1C(P)(c1ccccc1)c1c(O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 1/20 0.47
▸ HSD17B10 Q99714 5/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ PAK1 Q13153 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ KMT2A Q03164 2/20 0.39

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
SCHEMBL23861627 0.81 PTPN22 (0.50) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL3389391 0.80 HSD17B10 (0.59) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL23861443 0.79 ESR1 (0.47) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL5596944 0.78 PTPN22 (0.50) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL5596069 0.75 HSD17B10 (0.67) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2221239 0.73 PTPN22 (0.54) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL1603439 0.73 PTPN22 (0.54) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7296516 0.73 PTPN22 (0.54) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL20398800 0.73 PTPN22 (0.54) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL31356444 0.73 PTPN22 (0.54) PTPN22HSD17B10CYP1A2CYP2C9CYP2C19

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
US-7279537-B2 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 — — US disclosed
US-20060229195-A1 Transition metal complexes and polymerization catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-12 — — US disclosed
EP-1557423-A1 TRANSITION METAL COMPLEXES AND POLYMERIZATION CATALYSTS Sumitomo Chemical Company, Limited (JP) 2005-07-27 — — EP disclosed
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