SCHEMBL3883994

SCHEMBL3883994

Cc1ccc(C(CCCP(=O)(O)O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
HRH1 P35367 4/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
CASR P41180 1/20 0.44
ACP3 P15309 4/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SRC P12931 1/20 0.43
CYP19A1 P11511 1/20 0.41

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
SCHEMBL874649 0.90 HTR2A (0.55) HTR2AHRH1ACP3MEN1ALDH1A1
SCHEMBL31430506 0.83 HTR2A (0.52) HTR2AHRH1ACP3MEN1ALDH1A1
SCHEMBL3889176 0.81 ACP3 (0.58) HTR2AHRH1ACP3ALDH1A1SRC
SCHEMBL3885280 0.80 ALDH1A1 (0.47) ALDH1A1
SCHEMBL778566 0.80 LMNA (0.47) ACP3MEN1ALDH1A1KMT2A
SCHEMBL3896709 0.80 ACP3 (0.49) CNR1CNR2CASRACP3SRC
SCHEMBL29723649 0.76 CNR1 (0.56) HTR2AHRH1CNR1CNR2CASR
SCHEMBL6547352 0.75 SIGMAR1 (0.52) HTR2AHRH1CNR1CNR2CASR
SCHEMBL16859931 0.75 ACP3 (0.71) ACP3SRC
SCHEMBL777071 0.75 CYP19A1 (0.48) HTR2AHRH1ACP3MEN1ALDH1A1

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