SCHEMBL27854240

SCHEMBL27854240

CC=C(C=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ PTPN1 P18031 1/20 0.46

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
SCHEMBL27897206 0.76 GPR52 (0.47) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL1697544 0.76 ALDH1A1 (0.69) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL29884110 0.76 ALDH1A1 (0.69) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL24609171 0.75 CES2 (0.43) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL262669 0.74 ALDH1A1 (0.52) CES2CES1ALDH1A1MEN1TP53
SCHEMBL19792666 0.74 ALDH1A1 (0.52) CES2CES1ALDH1A1MEN1TP53
Benzene SCHEMBL28264641 0.74 ALDH1A1 (0.52) CES2CES1ALDH1A1MEN1TP53
SCHEMBL950633 0.74 ALDH1A1 (0.52) CES2CES1ALDH1A1MEN1TP53
SCHEMBL3007220 0.74 KDM4E (0.56) CES2CES1SMN1; SMN2HPGDKDM4E
SCHEMBL13645552 0.74 CES2 (0.46) CES2CES1SMN1; SMN2HPGDKDM4E

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
CN-102480932-A Gut flora-derived extracellular vesicles, and method for searching for a disease model, vaccine, and candidate drug and for diagnosis using same AEON MEDIX INC 2012-05-30 — — CN claimed
CN-102480932-B Gut flora-derived extracellular vesicles, and method for searching for a disease model, vaccine, and candidate drug and for diagnosis using same AEON MEDIX INC 2015-01-14 — — CN disclosed
CN-102480932-A Gut flora-derived extracellular vesicles, and method for searching for a disease model, vaccine, and candidate drug and for diagnosis using same AEON MEDIX INC 2012-05-30 — — CN disclosed
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