SCHEMBL3087532

SCHEMBL3087532

N#CCc1nc2cc(CCC(=O)O)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
FFAR1 O14842 9/20 0.45
GRK6 P43250 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
HPSE Q9Y251 1/20 0.38

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
SCHEMBL23582810 0.80 FFAR1 (0.50) GAAFFAR1GRK6S1PR1KDM4E
SCHEMBL17385281 0.80 GAA (0.51) GAAFFAR1S1PR1KDM4ENPC1
SCHEMBL8130190 0.79 GAA (0.44) GAANPC1RAB9ASMN1; SMN2LIPG
SCHEMBL3087531 0.73 MAOA (0.54) GAACYP1A2LIPG
SCHEMBL11331561 0.73 KDM4E (0.51) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30010034 0.72 MAPT (0.43) GAAGRK6KDM4ENPC1CYP1A2
SCHEMBL7114426 0.72 GRK6 (0.59) GAAGRK6KDM4ENPC1CYP1A2
SCHEMBL8626880 0.72 PSMB8 (0.59) KDM4ENPC1CYP1A2MAPTCYP2C19
SCHEMBL16515861 0.72 CETP (0.42) GRK6
SCHEMBL11339141 0.72 RAB9A (0.47) KDM4ENPC1MAPTRAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9677115-B2 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2017-06-13 US disclosed
US-20130252268-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2013-09-26 US disclosed
US-8460862-B2 Enzyme substrates for visualizing acidic organelles Marker Gene Technologies (US) 2013-06-11 US disclosed
US-20100233744-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. 2010-09-16 US disclosed