SCHEMBL8940848

SCHEMBL8940848

NCCNC(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCC3 O15438 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 2/20 0.32
CA6 P23280 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 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
SCHEMBL29109505 0.90 GGT1 (0.33) GGT1ALDH1A1TSHRLMNATDP1
Alcohol SCHEMBL9008030 0.84 LMNA (0.37) GGT1LMNATDP1CNR1ADRA1A
Fluoride SCHEMBL5133359 0.80 CNR1 (0.31) CNR1
SCHEMBL2185691 0.78
SCHEMBL1408757 0.77
SCHEMBL3634011 0.75
Alcohol SCHEMBL9008042 0.74 CA12 (0.39) ALDH1A1TSHRLMNATDP1CNR1
SCHEMBL18286746 0.73 LMNA (0.39) GGT1ALDH1A1LMNATDP1CNR1
SCHEMBL16697215 0.72 CA12 (0.38) GGT1ALDH1A1LMNATDP1KDM4E
SCHEMBL15319486 0.71

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-5491263-A DECYCLIZATION OF AN OXAZOLIDINONE WITH A SECONDARY AMINE OR A SECONDARY ALKANOLAMINE THE DOW CHEMICAL COMPANY (US) 1996-02-13 US disclosed