SCHEMBL9309995

SCHEMBL9309995

O=C(O)c1cc2c(cc1C(=O)O)COCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33
PARP1 P09874 2/20 0.32
PIK3CD O00329 1/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
ABCC1 P33527 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPRB P23467 1/20 0.30

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
SCHEMBL9308990 0.90 HTT (0.33) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14258253 0.85 HTT (0.39) HTTALDH1A1KDM4EHPGDHSD17B10
Potassium Ion SCHEMBL9309080 0.81 PARP1 (0.30) PARP1
SCHEMBL9310363 0.78 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL9309340 0.76 KDM4E (0.35) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9308980 0.76 KDM4E (0.35) HTTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21818960 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTPOLB
SCHEMBL30539307 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTPOLB
SCHEMBL5286604 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTPOLB
SCHEMBL4110802 0.74 HTT (0.33) HTTALDH1A1KDM4EHPGDHSD17B10

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-5283335-A Controlling (mono or di)cotyledenous plants AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed