SCHEMBL6208874

SCHEMBL6208874

O=Cc1ccc2c(c1)C(=O)CO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 7/20 0.42
MAOB P27338 7/20 0.42
MAOA P21397 1/20 0.36
MIF P14174 2/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL27741641 0.82 ALDH1A1 (0.49) HSD17B10TDP1ALDH1A1NPC1RAB9A
SCHEMBL7248564 0.77 MAPT (0.64) TDP1ALDH1A1KMT2ANPC1RAB9A
Ethylene Glycol SCHEMBL9335204 0.76 MAOB (0.45) HSD17B10TDP1ALDH1A1NPC1RAB9A
SCHEMBL5539912 0.75 HSD17B10 (0.45) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL3152242 0.73 MEN1 (0.59) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL3223921 0.73 MAPT (0.60) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL95448 0.73 MMP12 (0.51) HSD17B10MEN1KMT2ANPC1CYP1A2
SCHEMBL3045957 0.73 HSD17B10 (0.44) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL29706440 0.73 APP (0.55) HSD17B10TDP1MEN1KMT2ANPC1
SCHEMBL1429528 0.73 MAPT (0.47) HSD17B10TDP1ALDH1A1MEN1KMT2A

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
EP-1292269-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-09 EP claimed