SCHEMBL6278744

SCHEMBL6278744

C=CCCCCC(C=C)CCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
ALDH1A1 P00352 2/20 0.52
ABCG2 Q9UNQ0 2/20 0.38
PTGS1 P23219 1/20 0.38
PPARG P37231 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29031770 1.00 TSHR (0.67) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL29047336 0.96 TSHR (0.60) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL31288442 0.92 TSHR (0.54) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL28894791 0.89 TSHR (0.50) TSHRALDH1A1ABCG2PTGS1PPARG
SCHEMBL25171279 0.89 TSHR (0.46) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL25181794 0.89 TSHR (0.46) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL25182453 0.89 TSHR (0.46) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL10921449 0.89 TSHR (0.46) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL25181774 0.89 TSHR (0.46) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL25172438 0.89 TSHR (0.46) TSHRALDH1A1SMN1; SMN2LMNA

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
JP-2005166889-A ELECTROLYTIC LIQUID FOR DRIVING ELECTROLYTIC CAPACITOR NICHICON CORP 2005-06-23 JP disclosed
JP-2004207559-A ELECTROLYTE FOR DRIVING ELECTROLYTIC CAPACITOR NICHICON CORP 2004-07-22 JP disclosed