SCHEMBL7826064

SCHEMBL7826064

CC(C)=CCCCCCC=CCCCC#N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.36
EPAS1 Q99814 4/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCG2 Q9UNQ0 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
SCHEMBL14323909 0.89
SCHEMBL8622315 0.78 KMT2A (0.59) ALDH1A1ALOX15KMT2A
SCHEMBL8622310 0.78 KMT2A (0.59) ALDH1A1ALOX15KMT2A
SCHEMBL2588505 0.78 HIF1A (0.47) HIF1AEPAS1TSHRALDH1A1
SCHEMBL14604285 0.78 HIF1A (0.47) HIF1AEPAS1TSHRALDH1A1
SCHEMBL2588504 0.78 HIF1A (0.47) HIF1AEPAS1TSHRALDH1A1
SCHEMBL29066917 0.78 HIF1A (0.47) HIF1AEPAS1TSHRALDH1A1
SCHEMBL17982758 0.78 TSHR (0.45) HIF1AEPAS1TSHRALDH1A1
SCHEMBL17982757 0.78 TSHR (0.45) HIF1AEPAS1TSHRALDH1A1
SCHEMBL11850790 0.77 TSHR (0.56) TSHRALOX15KMT2A

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
JP-2001226328-A INTERMEDIATE OF CAPSIAMIDE AND IMPROVED METHOD FOR PRODUCING CAPSIAMIDE GRELAN PHARMACEUT CO LTD 2001-08-21 JP disclosed