SCHEMBL28308657

SCHEMBL28308657

CCCC(O)N(C(C)C)C(C)C.[LiH].[LiH]

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL3167288 0.97 TSHR (0.38) TSHRTP53LMNASPHK1
SCHEMBL2242807 0.92 TSHR (0.38) TSHRTP53LMNASPHK1
SCHEMBL588488 0.83 TSHR (0.36) TSHRLMNASPHK1
SCHEMBL8219047 0.81 TSHR (0.38) TSHRLMNASPHK1
SCHEMBL8154263 0.81 TSHR (0.38) TSHRLMNASPHK1
Sulfuric Acid SCHEMBL27095077 0.79 TP53 (0.41) TSHRTP53LMNA
SCHEMBL23736364 0.77 TSHR (0.36) TSHRLMNASPHK1
SCHEMBL23736385 0.77 TP53 (0.40) TP53SPHK1
SCHEMBL8218781 0.76 LMNA (0.37) TSHRLMNA
SCHEMBL23467119 0.76 THRB (0.35)

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-110016010-A A kind of preparation method of novel thiophenecarboxaldehyde class compound 兰州大学 2019-07-16 CN disclosed