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SCHEMBL30619636

SCHEMBL30619636

Cc1cc(-c2ccc(C(C)C)cc2-c2cccc(-c3cc(C(C)C)ccc3-c3cc(C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c(O)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.32
▸ PTPRCAP Q14761 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ IKBKB O14920 3/20 0.32
▸ RARA P10276 2/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TRPA1 O75762 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ CACNA1C Q13936 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
SCHEMBL30619638 1.00 PTPN11 (0.32) PTPN11PTPRCAPCNR2IKBKBRARA
SCHEMBL23754726 1.00 PTPN11 (0.32) PTPN11PTPRCAPCNR2IKBKBRARA
SCHEMBL23775112 0.92 CNR2 (0.33) PTPN11PTPRCAPCNR2
SCHEMBL22321064 0.89 CNR2 (0.39) PTPN11PTPRCAPCNR2IKBKBRARA
SCHEMBL29435397 0.89 CNR2 (0.39) PTPN11PTPRCAPCNR2IKBKBRARA
SCHEMBL26790044 0.87 PTPN11 (0.34) PTPN11
SCHEMBL30619622 0.87 PTPN11 (0.34) PTPN11
SCHEMBL29435389 0.87 PDK2 (0.32) PTPN11PTPRCAPPDK2
SCHEMBL22321056 0.87 PDK2 (0.32) PTPN11PTPRCAPPDK2
SCHEMBL30087027 0.87 PTPN11 (0.31) PTPN11PTPRCAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348634-A1 Propylene Polymers Obtained Using Transition Metal Bis(Phenolate) Catalyst Complexes and Homogeneous Process for Production Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-11-02 — — US disclosed