SCHEMBL6774029

SCHEMBL6774029

[C]#CCCC(CCCC)NC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
PLA2G2C Q5R387 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
EPHX1 P07099 1/20 0.30
DNM1 Q05193 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
SCHEMBL385667 0.87
SCHEMBL18103501 0.82 DNM1 (0.41) TSHRPLA2G2CALDH1A1CYP3A4EPHX1
SCHEMBL386484 0.81 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4EPHX1DNM1
SCHEMBL384488 0.80
SCHEMBL23058658 0.77 DNM1 (0.38) TSHRPLA2G2CALDH1A1CYP3A4EPHX1
SCHEMBL14183047 0.77 DNM1 (0.38) TSHRPLA2G2CALDH1A1CYP3A4EPHX1
SCHEMBL13478425 0.77 DNM1 (0.43) TSHRPLA2G2CALDH1A1CYP3A4EPHX1
SCHEMBL14113752 0.77 DNM1 (0.38) TSHRPLA2G2CALDH1A1CYP3A4EPHX1
SCHEMBL24093451 0.77 TSHR (0.54) TSHRALDH1A1CYP3A4EPHX1DNM1
SCHEMBL387580 0.77

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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed