SCHEMBL3966530

SCHEMBL3966530

C=CCC(C/C=C/C)CCCC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 2/20 0.33
ATM Q13315 1/20 0.33
CA2 P00918 2/20 0.32
FAAH O00519 1/20 0.31
LMNA P02545 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
SCHEMBL3963748 0.94 LMNA (0.38) TSHRALDH1A1FAAHLMNA
SCHEMBL3957223 0.92 LMNA (0.41) TSHRALDH1A1FAAHLMNA
SCHEMBL3959811 0.92 LMNA (0.41) TSHRALDH1A1FAAHLMNA
SCHEMBL3959885 0.88
SCHEMBL26216112 0.87 TSHR (0.43) TSHRALDH1A1TDP1CYP3A4ATM
SCHEMBL27653764 0.87 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL6547066 0.83 TSHR (0.43) TSHRALDH1A1TDP1CYP3A4ATM
SCHEMBL2341229 0.82 TSHR (0.38) TSHRALDH1A1TDP1CYP3A4FAAH
Hydrochloric Acid SCHEMBL28458979 0.81 ALDH1A1 (0.38) TSHRALDH1A1TDP1CYP3A4ATM
SCHEMBL27691052 0.81 ALDH1A1 (0.48) TSHRALDH1A1TDP1CYP3A4ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed