SCHEMBL3885852

SCHEMBL3885852

Cc1ccc(-c2c(C)cccc2P(=O)(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTPN5 P54829 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
FBP1 P09467 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
MMP8 P22894 1/20 0.33
FABP4 P15090 1/20 0.33
KIF11 P52732 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL9742588 0.84 PTK2B (0.42) PTK2BRXFP1PTPN5LMNATSHR
SCHEMBL3895681 0.84 LMNA (0.41) PTK2BRXFP1PTPN5LMNATSHR
SCHEMBL3894465 0.83 PTPN5 (0.45) PTPN5TSHRCYP1A2CYP2D6ALDH1A1
SCHEMBL3887564 0.81 PTPN5 (0.40) PTK2BRXFP1PTPN5LMNATSHR
SCHEMBL3895587 0.80 PTK2B (0.42) PTK2BRXFP1PTPN5LMNACYP1A2
SCHEMBL3881976 0.79 LMNA (0.39) PTK2BRXFP1PTPN5LMNATSHR
SCHEMBL3883821 0.76 MYC (0.44) PTK2BRXFP1FBP1CYP1A2CYP2D6
SCHEMBL1044029 0.76 ACHE (0.44) LMNATSHRCYP1A2ALDH1A1CA1
SCHEMBL3883335 0.74 LMNA (0.42) PTK2BRXFP1PTPN5LMNATSHR
SCHEMBL29688212 0.72 ATM (0.44) PTK2BRXFP1LMNATSHRCYP1A2

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-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed