SCHEMBL7954034

SCHEMBL7954034

[Ti]Oc1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DNMT1 P26358 1/20 0.42
HSD17B10 Q99714 3/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHFR P00374 1/20 0.39
TYMP P19971 1/20 0.38
GSK3B P49841 1/20 0.38
ADK P55263 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
HPRT1 P00492 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
WDR5 P61964 1/20 0.35

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
SCHEMBL12880138 0.81 MAPT (0.75) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6287732 0.81 MAPT (0.48) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6908092 0.81 MAPT (0.48) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9874312 0.81 MAPT (0.48) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29512056 0.81 MAPT (0.75) MAPTALDH1A1MEN1KMT2ARAB9A
Bromide SCHEMBL7960862 0.80 MAPT (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9874308 0.80 MAPT (0.47) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3696336 0.79 MAPT (0.50) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL23581815 0.77 MAPT (0.44) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL12223406 0.77 ALOX5 (0.57) MAPTALDH1A1MEN1KMT2ARAB9A

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-6031103-A Process for manufacturing 1-[3-cyclopentyl -2(R)-[1(R)-hydroxycarbamoyl)-2-(3, 4, 4-trimethyl -2, 5-D ioxo-1-imidazolidinyl) ethyl] propionyl] piperidine HOFFMANN-LA ROCHE INC. (US) 2000-02-29 US claimed
US-6172238-B1 Process for manufacturing 1-[3-cyclopentyl-2(R)-[1(R)-hydroxycarbamoyl)-2-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)ethyl]propionyl]piperidine HOFFMANN-LA ROCHE INC. 2001-01-09 US disclosed
JP-2000063358-A CHIRAL SUCCINIC ACID DERIVATIVE F HOFFMANN LA ROCHE AG 2000-02-29 JP disclosed
US-6031103-A Process for manufacturing 1-[3-cyclopentyl -2(R)-[1(R)-hydroxycarbamoyl)-2-(3, 4, 4-trimethyl -2, 5-D ioxo-1-imidazolidinyl) ethyl] propionyl] piperidine HOFFMANN-LA ROCHE INC. (US) 2000-02-29 US disclosed