SCHEMBL5695380

SCHEMBL5695380

[CH2]CC(C)(N)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.45
SRC P12931 1/20 0.42
CYP2C19 P33261 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 3/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.40
BLM P54132 2/20 0.40
PARP1 P09874 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL9076470 0.82 CES1 (0.47) CES1SRCCYP2C19TDP1MAPT
SCHEMBL3128833 0.81 CES1 (0.45) CES1SRCCYP2C19TDP1MAPT
SCHEMBL9559864 0.81 CES1 (0.45) CES1SRCCYP2C19TDP1MAPT
SCHEMBL3345472 0.81 CYP2C19 (0.50) CES1SRCCYP2C19TDP1MAPT
SCHEMBL3128812 0.79 CES1 (0.44) CES1SRCCYP2C19TDP1MAPT
Hydrochloric Acid SCHEMBL317256 0.79 CES1 (0.44) CES1SRCCYP2C19TDP1MAPT
SCHEMBL9559908 0.78 CES1 (0.47) CES1SRCCYP2C19TDP1MAPT
SCHEMBL3134419 0.77 CES1 (0.60) CES1SRCCYP2C19TDP1MAPT
SCHEMBL9632467 0.77 CES1 (0.54) CES1SRCCYP2C19TDP1MAPT
SCHEMBL2161616 0.77 HIF1A (0.50) CES1SRCCYP2C19TDP1MAPT

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
EP-1666551-A1 Ink for ink jet-recording curable through irradiation and method for preparing lithographic printing plates using the same FUJI PHOTO FILM CO., LTD. (JP) 2006-06-07 EP disclosed