SCHEMBL3883435

SCHEMBL3883435

C=CC(c1ccccc1)(c1ccccc1C)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
PGK1 P00558 5/20 0.35
PGK2 P07205 5/20 0.35
PTPN5 P54829 5/20 0.34
ACP3 P15309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL3893681 0.82 PTPN5 (0.45) PTPN1SMN1; SMN2TSHRALOX15PGK1
SCHEMBL3883344 0.76 PGK1 (0.41) PTPN1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL29140371 0.71 KDM4E (0.42) SMN1; SMN2MEN1KMT2ATSHRALOX15
SCHEMBL11435363 0.71 TSHR (0.41) PTPN1SMN1; SMN2TSHRALOX15PGK1
SCHEMBL11365420 0.71 KDM4E (0.39) PTPN1MEN1KMT2ATSHRALOX15
SCHEMBL778138 0.70 KCNN4 (0.38) PTPN1TSHRALOX15PGK1PGK2
SCHEMBL4629269 0.70 PTPN1 (0.54) PTPN1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL9657300 0.69 MEN1 (0.35) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL778834 0.69 SMN1; SMN2 (0.48) PTPN1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3884603 0.69 PGK1 (0.42) PTPN1TSHRPGK1PGK2PTPN5

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