SCHEMBL11034994

SCHEMBL11034994

C=C[C](CC(=C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
EGFR P00533 2/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HPGD P15428 2/20 0.35
CES1 P23141 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5818467 0.77 AKT1 (0.46) AKT1ALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL7767040 0.74 MAOA (0.54) ALDH1A1MAOAMAOBEGFRMAPK1
SCHEMBL2023916 0.74 MAOA (0.43) MAOAMAOBEGFRMAPK1LMNA
SCHEMBL708730 0.72 AKT1 (0.46) AKT1ALDH1A1EGFRMAPK1LMNA
SCHEMBL487605 0.71 KMT2A (0.67) ALDH1A1EGFRMAPK1LMNAHTT
SCHEMBL9231663 0.71 AKT1 (0.45) AKT1ALDH1A1L3MBTL1CES1MEN1
SCHEMBL564722 0.70 AKT1 (0.48) AKT1ALDH1A1MAPK1LMNACES1
Benzene SCHEMBL11587504 0.70 AKT1 (0.48) AKT1ALDH1A1MAPK1LMNACES1
SCHEMBL504026 0.70 AKT1 (0.48) AKT1ALDH1A1MAPK1LMNACES1
SCHEMBL10632791 0.69 CES2 (0.51) AKT1LMNACES1TDP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59084924-A None JP disclosed
JP-S5984924-A COMPOSITE ION EXCHANGE MEMBRANE ASAHI CHEM IND CO LTD 1984-05-16 JP disclosed