SCHEMBL11525971

SCHEMBL11525971

OCCc1cccc(N(CCO)CCO)c1CCO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3864995 0.82 MEN1 (0.46) MEN1PABPC1KMT2APTPN1GAA
SCHEMBL11166675 0.80 MEN1 (0.37) MEN1PABPC1KMT2AGAAMAPT
SCHEMBL8918996 0.77 TDP1 (0.42) PTPN1GAAMAPTALDH1A1TDP1
SCHEMBL8582753 0.75 PTPN1 (0.40) MEN1KMT2APTPN1MAPTALDH1A1
SCHEMBL4495007 0.73 PTPN1 (0.41) MEN1PABPC1KMT2APTPN1GAA
Bicarbonate SCHEMBL8582695 0.71 PTPN1 (0.43) MEN1KMT2APTPN1ALDH1A1TDP1
SCHEMBL5490268 0.70 HTR1A (0.36) GAAALDH1A1
SCHEMBL28431237 0.70 HTT (0.44) MEN1PABPC1KMT2APTPN1MAPT
SCHEMBL5596024 0.70 TDP1 (0.36) PTPN1ALDH1A1TDP1
SCHEMBL583883 0.70 HSPA5 (0.41) GAAMAPTALDH1A1TDP1

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-4150206-A SYNERGISTIC CATALYSTS S.A. PRB (BE) 1979-04-17 US disclosed