SCHEMBL28301407

SCHEMBL28301407

CCCCC(Cc1ccccc1)=C(C)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR2 P34972 2/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1B1 P15121 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL2866676 0.85 CES1 (0.50) MEN1KMT2ACES2CES1EPHX2
SCHEMBL2469796 0.77 CES1 (0.46) MEN1KMT2ACES2CES1ALDH1A1
SCHEMBL7110149 0.76 CES2 (0.41) MEN1KMT2ACES2CES1EPHX2
SCHEMBL330291 0.74 TDP1 (0.56) MEN1KMT2ACNR2CES2CES1
SCHEMBL31476894 0.74 CES1 (0.50) MEN1KMT2ACES2CES1EPHX2
SCHEMBL11875675 0.74 MEN1 (0.53) MEN1KMT2ACNR2CES2CES1
SCHEMBL28784878 0.74 CES1 (0.43) MEN1KMT2ACES2CES1ALDH1A1
SCHEMBL21156955 0.74 KDM4E (0.46) MEN1KMT2ACNR2CES2CES1
SCHEMBL29226159 0.72 CES1 (0.41) MEN1KMT2ACES2CES1ALDH1A1
SCHEMBL3432106 0.72 MEN1 (0.49) MEN1KMT2ACNR2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109782553-A Photoresist developer 台湾积体电路制造股份有限公司 2019-05-21 CN disclosed