SCHEMBL4448677

SCHEMBL4448677

[C]#CC(CCC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.36
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
LMNA P02545 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL28399333 0.84
SCHEMBL60752 0.80
SCHEMBL4940662 0.78 USP2 (0.35) ALDH1A1TSHRSMN1; SMN2CYP3A4MAPK1
SCHEMBL378171 0.78
SCHEMBL387047 0.77 OPRM1 (0.39) DNM1TSHRFDPSLMNA
SCHEMBL12475544 0.76 DNM1 (0.38) DNM1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL3673710 0.76 TSHR (0.46) DNM1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL27811915 0.75 LMNA (0.39) DNM1TSHRFDPSLMNA
SCHEMBL4448679 0.74 DNM1 (0.36) DNM1ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL3739903 0.74 DNM1 (0.36) DNM1ALDH1A1TDP1TSHRSMN1; SMN2

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
EP-2067801-A1 Synthesis of Hybrid Block Copolymers Intezyne Technologies Incorporated (US) 2009-06-10 EP disclosed