SCHEMBL777553

SCHEMBL777553

C=C(C)OP(=O)(O)C(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
GAA P10253 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TDP1 Q9NUW8 3/20 0.40
SRD5A2 P31213 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MMP13 P45452 1/20 0.38
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
NLRP1 Q9C000 1/20 0.37

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
SCHEMBL779421 0.74 SMN1; SMN2 (0.42) ALDH1A1LMNAGAACES2CES1
SCHEMBL779557 0.74 ALDH1A1 (0.40) ALDH1A1LMNAGAACES2CES1
SCHEMBL779420 0.74 ALDH1A1 (0.40) ALDH1A1LMNAGAATDP1SMN1; SMN2
SCHEMBL778023 0.73 SMN1; SMN2 (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL2258545 0.73 ALDH1A1 (0.61) ALDH1A1LMNAGAACES2CES1
SCHEMBL3888844 0.73 LMNA (0.52) ALDH1A1LMNAGAATDP1HDAC1
SCHEMBL781342 0.71 ALDH1A1 (0.44) ALDH1A1LMNAGAACES2CES1
SCHEMBL777555 0.71 ALDH1A1 (0.44) ALDH1A1LMNAGAACES2CES1
SCHEMBL779042 0.71 PTK2B (0.39) ALDH1A1LMNAGAATDP1SMN1; SMN2
SCHEMBL779462 0.71 ALDH1A1 (0.64) ALDH1A1LMNAGAACES2CES1

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