SCHEMBL778425

SCHEMBL778425

C=CCc1ccc(OP(=O)(Oc2ccc(CC=C)cc2)C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP10 Q53GL7 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL777303 0.84 CYP3A4 (0.55) ALDH1A1CYP3A4TSHRSMN1; SMN2MAPT
SCHEMBL779808 0.83 CYP2C19 (0.51) ALDH1A1CYP3A4TSHRSMN1; SMN2MAPT
SCHEMBL778356 0.82 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRSMN1; SMN2MAPT
SCHEMBL8329694 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL778227 0.79 SMN1; SMN2 (0.42) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL3890798 0.77 TSHR (0.49) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL777534 0.76 MEN1 (0.50) ALDH1A1CYP3A4TSHRSMN1; SMN2MEN1
SCHEMBL27475875 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53
SCHEMBL779315 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1HPGDHTT
SCHEMBL779408 0.73 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed