SCHEMBL9769653

SCHEMBL9769653

C=CCOC(=O)c1ccc(C)cc1C/C=C/C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 1/20 0.41
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.35
APP P05067 1/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 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
SCHEMBL9769604 0.85 PTGER1 (0.41) ALDH1A1PTGER1PTGER4PTGER3PTGER2
Acrylic Acid SCHEMBL9769649 0.80 CYP3A4 (0.59) CYP3A4ALDH1A1HSD17B10TSHRPTGER4
SCHEMBL11061923 0.78 CYP3A4 (0.64) CYP3A4ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL7647241 0.76 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL7672671 0.76 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL28831904 0.74 L3MBTL1 (0.46) ALDH1A1HSD17B10MAPK1L3MBTL1KDM4E
SCHEMBL1285885 0.73 TAAR1 (0.46) ALDH1A1PTGER1PTGER4PTGER3PTGER2
SCHEMBL7207362 0.73 CYP3A4 (0.53) CYP3A4ALDH1A1HSD17B10TSHRL3MBTL1
SCHEMBL2771317 0.73 CYP46A1 (0.46) ALDH1A1HSD17B10MAPK1L3MBTL1KDM4E
SCHEMBL11790737 0.72 CSNK2A1 (0.47) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1

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
US-5006433-A Printing plate precursors for electrophotographic plate-making purposes FUJI PHOTO FILM CO., LTD. (JP) 1991-04-09 US disclosed