SCHEMBL3883344

SCHEMBL3883344

C=CC(C)(c1ccccc1C)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.41
PGK2 P07205 5/20 0.41
PTPN1 P18031 2/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTPN5 P54829 4/20 0.34
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
ACP3 P15309 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASR P41180 1/20 0.32
PTPRC P08575 1/20 0.32

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
SCHEMBL777703 0.81 KCNN4 (0.39) PGK1PGK2PTPN1ALOX15TSHR
SCHEMBL3884603 0.76 PGK1 (0.42) PGK1PGK2PTPN1TSHRGABRA1
SCHEMBL3883435 0.76 PTPN1 (0.41) PGK1PGK2PTPN1ALOX15TSHR
SCHEMBL14421892 0.72 GABRA1 (0.41) ALOX15TSHRGABRA1GABRB2MEN1
SCHEMBL8835932 0.72 GABRA1 (0.36) TSHRGABRA1GABRB2CASR
SCHEMBL3885613 0.71 TSHR (0.41) PGK1PGK2PTPN1TSHRPTPN5
SCHEMBL10977897 0.71 TSHR (0.39) TSHRGABRA1GABRB2CASR
SCHEMBL28019131 0.71 TSHR (0.39) PTPN1TSHRGABRA1GABRB2MEN1
Phosphoric Acid SCHEMBL5874226 0.71 GABRA1 (0.39) PGK1PGK2PTPN1TSHRGABRA1
Phosphoric Acid SCHEMBL7178344 0.71 GABRA1 (0.44) PGK1PGK2TSHRGABRA1GABRB2

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-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed