SCHEMBL570618

SCHEMBL570618

CCCC/C=C/C=O.CCCCC/C=C/C=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.78
ALDH1A1 P00352 1/20 0.78
FAAH O00519 2/20 0.56
TRPV1 Q8NER1 2/20 0.56
FASN P49327 1/20 0.50
TRPA1 O75762 1/20 0.48
TERT O14746 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL570619 1.00 TSHR (0.78) TSHRALDH1A1FAAHTRPV1FASN
SCHEMBL15334193 0.97
SCHEMBL310029 0.97
SCHEMBL159708 0.97
SCHEMBL1786285 0.95 TSHR (0.78) TSHRALDH1A1FAAHTRPV1FASN
Trans-2-Decenal SCHEMBL3505408 0.95 TSHR (0.78) TSHRALDH1A1FAAHTRPV1FASN
Trans-2-Decenal SCHEMBL921364 0.95 TSHR (0.78) TSHRALDH1A1FAAHTRPV1FASN
SCHEMBL18941609 0.95 TSHR (0.78) TSHRALDH1A1FAAHTRPV1FASN
SCHEMBL18941622 0.95 TSHR (0.71) TSHRALDH1A1FAAHTRPV1FASN
SCHEMBL10733360 0.95 TSHR (0.78) TSHRALDH1A1FAAHTRPV1FASN

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-2013115214-A1 FOOD/BEVERAGE IN TRANSPARENT CONTAINER, AND METHOD FOR INHIBITING FLAVOR DEGRADATION 株式会社明治 (JP) 2013-08-08 WO disclosed
WO-2012017984-A1 FOOD OR BEVERAGE IN TRANSPARENT CONTAINER AND OFF-FLAVOR PREVENTION METHOD 株式会社明治 (JP) 2012-02-09 WO disclosed