SCHEMBL14601554

SCHEMBL14601554

CCOC(=O)/C=C/C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HCAR2 Q8TDS4 1/20 0.46
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
EGFR P00533 1/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
NLRP1 Q9C000 1/20 0.43

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
SCHEMBL14601555 0.85 MAPT (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11027332 0.84 ALDH1A1 (0.58) MAPTHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL11027336 0.84 ALDH1A1 (0.58) MAPTHTTSMN1; SMN2ALDH1A1PKM
SCHEMBL29098724 0.82 MAPT (0.52) MAPTHCAR2TTRDPP4CA12
SCHEMBL28789132 0.81 ALDH1A1 (0.68) MAPTHCAR2CA12CA1CA2
SCHEMBL14601551 0.81 ALDH1A1 (0.68) MAPTHCAR2CA12CA1CA2
SCHEMBL14601550 0.80 NPSR1 (0.52) MAPTSMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL5166792 0.80 MAPT (0.62) MAPTALDH1A1ATMNPSR1LMNA
SCHEMBL5166787 0.80 MAPT (0.62) MAPTALDH1A1ATMNPSR1LMNA
SCHEMBL10920916 0.80 CA12 (0.63) MAPTHCAR2TTRDPP4CA12

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
US-7161022-B2 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-01-09 US disclosed
US-7161022-B2 Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-01-09 US disclosed