SCHEMBL28344745

SCHEMBL28344745

CCCCCCOCCOCCO.OCC1CCCO1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
THRB P10828 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPHX1 P07099 1/20 0.41
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
GBA2 Q9HCG7 7/20 0.38
GBA1 P04062 2/20 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
SCHEMBL28347671 0.94 ALDH1A1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL27955552 0.92 ALDH1A1 (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL20394647 0.88 SMN1; SMN2 (0.47) MEN1THRBHTTKMT2AMAPT
Triethylene Glycol SCHEMBL254020 0.87 KMT2A (0.42) MEN1THRBHTTKMT2AMAPT
Di(Hydroxyethyl)Ether SCHEMBL28193764 0.86 PDK1 (0.42) MEN1HTTKMT2ATSHRALDH1A1
1-Hexanol SCHEMBL11445517 0.84 EPHX1 (0.48) MEN1KMT2ATSHRALDH1A1TDP1
Dodecanol SCHEMBL11857644 0.84 EPHX1 (0.48) MEN1KMT2ATSHRALDH1A1TDP1
Hexane SCHEMBL151108 0.84 EPHX1 (0.50) KMT2AALDH1A1TDP1EPHX1
2-Ethoxyethanol SCHEMBL10715490 0.83 ALDH1A1 (0.48) MEN1HTTKMT2AMAPTTSHR
SCHEMBL27982620 0.82 PDK1 (0.38) HTTKMT2AMAPTALDH1A1TDP1

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
CN-110405377-A A kind of semiconductor high temperature print solder paste SHENZHEN BOSHIDA SOLDERING TIN PRODUCTS CO LTD 2019-11-05 CN disclosed