SCHEMBL9680274

SCHEMBL9680274

O=C(OCc1ccccc1)c1ccccc1Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
ALOX15 P16050 1/20 0.64
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 3/20 0.59
SIRT2 Q8IXJ6 3/20 0.57
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CTSV O60911 2/20 0.56
CTSL P07711 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
FABP4 P15090 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL2008034 0.83 MAPT (0.71) MAPTALOX15ALDH1A1TDP1HTT
SCHEMBL24013287 0.83 ALDH1A1 (0.63) MAPTALDH1A1TDP1HPGDHTT
SCHEMBL8712515 0.83 ALDH1A1 (0.63) MAPTALDH1A1TDP1HPGDHTT
SCHEMBL29388715 0.81 ALDH1A1 (0.89) MAPTALDH1A1TDP1HPGDHTT
SCHEMBL50441 0.81 ALDH1A1 (0.89) MAPTALDH1A1TDP1HPGDHTT
SCHEMBL2439118 0.80 ALDH1A1 (0.59) MAPTALDH1A1TDP1HPGDHTT
SCHEMBL6569817 0.80 MAPT (0.67) MAPTALOX15ALDH1A1TDP1CYP2C9
SCHEMBL27926656 0.80 MAPT (0.62) MAPTALOX15ALDH1A1SIRT2CTSV
SCHEMBL2439121 0.80 ALDH1A1 (0.59) MAPTALDH1A1TDP1HPGDHTT
SCHEMBL1784054 0.80 ALDH1A1 (0.59) MAPTALDH1A1TDP1HPGDHTT

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
CN-103664616-B Method and device for producing benzyl benzoate CHINA PETROLEUM & CHEMICAL 2015-04-22 CN disclosed
CN-103664616-A Method and device for producing benzyl benzoate CHINA PETROLEUM & CHEMICAL 2014-03-26 CN disclosed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed