SCHEMBL7743758

SCHEMBL7743758

COC(=O)c1ccccc1N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
ALOX15 P16050 4/20 0.59
MAPK1 P28482 3/20 0.59
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
PRKDC P78527 1/20 0.55
MYC P01106 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL29032390 0.88 MAPT (0.53) GAAALOX15MAPK1MAPTALDH1A1
SCHEMBL28155858 0.87 PRKDC (0.49) GAAALOX15MAPK1MAPTALDH1A1
SCHEMBL23872194 0.85 MAPT (0.53) GAAALOX15MAPK1MAPTALDH1A1
SCHEMBL16167197 0.85 ALDH1A1 (0.48) GAAALOX15MAPK1MAPTALDH1A1
SCHEMBL23708768 0.85 NPC1 (0.60) GAAALDH1A1MYCMEN1KMT2A
SCHEMBL6609202 0.84 GAA (0.59) GAAALOX15MAPTALDH1A1MEN1
SCHEMBL29042528 0.84 ALDH1A1 (0.48) GAAALOX15MAPK1MAPTALDH1A1
SCHEMBL5742226 0.83 MYC (0.55) MAPK1MAPTALDH1A1MYCMEN1
SCHEMBL27623519 0.82 CNR1 (0.54) GAAALOX15MAPK1MAPTALDH1A1
SCHEMBL1286677 0.82 ALDH1A1 (0.55) ALOX15MAPTALDH1A1PRKDCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118488944-A Nitrogen-containing heterocyclic compound having Nrf2 activation 中外制药株式会社 2024-08-13 CN disclosed
CN-1751025-B Diamine derivatives DAIICHI SEIYAKU CO 2010-05-12 CN disclosed
EP-1039915-A4 CYCLIC PHOSPHONATE ESTER INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2001-02-14 EP disclosed
EP-1039915-A1 CYCLIC PHOSPHONATE ESTER INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-04 EP disclosed
US-5962440-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-05 US disclosed
WO-1999021564-A1 CYCLIC PHOSPHONATE ESTER INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-06 WO disclosed