SCHEMBL9632084

SCHEMBL9632084

CCOC(=O)c1ccc(=O)[nH]c1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL612717 0.81 ALDH1A1 (0.60) GAANPC1POLBTSHRKDM4E
SCHEMBL18395324 0.79 TSHR (0.50) GAANPC1POLBTSHRKDM4E
SCHEMBL9631567 0.79 TSHR (0.50) GAANPC1POLBTSHRKDM4E
SCHEMBL12502001 0.78 ALDH1A1 (0.49) GAANPC1TSHRKDM4EALDH1A1
SCHEMBL1929467 0.75 TSHR (0.46) GAANPC1POLBTSHRKDM4E
SCHEMBL3590668 0.75 TSHR (0.46) GAANPC1POLBTSHRKDM4E
SCHEMBL4008556 0.75 SMN1; SMN2 (0.47) GAANPC1POLBTSHRKDM4E
SCHEMBL1968151 0.74 APLNR (0.46) GAANPC1POLBTSHRKDM4E
SCHEMBL1929497 0.73 KDM4E (0.44) GAANPC1POLBTSHRKDM4E
SCHEMBL8121938 0.71 ALDH1A1 (0.60) GAANPC1POLBTSHRKDM4E

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-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed