SCHEMBL8616388

SCHEMBL8616388

CC(=O)Nc1ccccc1CCOC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 1/20 0.45
BRD4 O60885 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.42
CYP2C19 P33261 1/20 0.42
RAD52 P43351 1/20 0.41

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
SCHEMBL9223088 0.83 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ETSHRHPGD
SCHEMBL1644885 0.80 MAPK1 (0.59) ALDH1A1LMNAKDM4ETSHRHPGD
SCHEMBL5101721 0.80 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ETSHRHPGD
SCHEMBL5101521 0.79 USP2 (0.51) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL7869032 0.79 SMN1; SMN2 (0.48) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL10782077 0.78 RAD52 (0.44) ALDH1A1TSHRCYP2C19RAD52
SCHEMBL5775999 0.78 RAD52 (0.44) ALDH1A1KDM4ETSHRSMN1; SMN2RAD52
SCHEMBL11766148 0.78 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ETSHRHPGD
SCHEMBL4190286 0.78 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ETSHRHPGD
SCHEMBL8421119 0.78 ALDH1A1 (0.52) ALDH1A1LMNAKDM4ETSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714304-A AN ORGANOSILICON CROSSLINKED POLYMER IS THE REACTION PRODUCT OF ATLEAST ONE CYCLIC POLYSILOXANE HAVING ATLEAST TWO HYDROSILATION REACTIVE GROUPS, AN ORGANIC DYE WITH ELECTRON ACCEPTOR AND DONOR GROUPS WITH DOUBLE BOND, AND A POLYENE HERCULES INCORPORATED (US) 1998-02-03 US disclosed
US-5663308-A DYES CONTAINING ELECTRON DONOR/ACEPTOR GROUPS LINKED BY DELOCALIZED PI ELECTRON SYSTEM AND TWO OR MORE PENDANT GROUPS HERCULES INCORPORATED (US) 1997-09-02 US disclosed
US-5605726-A FILMS, SEMICONDUCTORS HERECULES INCORPORATED (US) 1997-02-25 US disclosed
US-5298588-A Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1994-03-29 US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed