SCHEMBL9762663

SCHEMBL9762663

CC(=O)Oc1ccc2c(C)c(C(=O)O)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
GLA P06280 3/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FLT3 P36888 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 2/20 0.41
PKM P14618 2/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
CFD P00746 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
SCHEMBL16005641 0.84 ELANE (0.51) KDM4EALDH1A1
SCHEMBL909309 0.84 KDM4E (0.56) KDM4ECA12CA9MAPTMAPK1
SCHEMBL4186794 0.83 KDM4E (0.50) KDM4ECA12CA9MAPTMAPK1
SCHEMBL2099558 0.80 PTPN1 (0.57) KDM4EMAPTMAPK1GAAALDH1A1
SCHEMBL30595409 0.78 CA12 (0.65) KDM4ECA12CA9MAPTGLA
SCHEMBL3974361 0.78 CA12 (0.65) KDM4ECA12CA9MAPTGLA
SCHEMBL6441929 0.77 KDM4E (0.69) KDM4EMAPTMAPK1GLAGAA
SCHEMBL4360840 0.77 KDM4E (0.73) KDM4EMAPTMAPK1GAAALDH1A1
SCHEMBL10433173 0.76 KDM4E (0.54) KDM4ECA12CA9MAPTMAPK1
SCHEMBL10886255 0.76 KDM4E (0.46) KDM4ECA12CA9MAPTGLA

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-4983756-A DIAGNOSING LIVER, KIDNEY DISORDERS NITTO BOSEKI CO., LTD. (JP) 1991-01-08 US disclosed