SCHEMBL31402500

SCHEMBL31402500

CCCC/C=C/C=C/COC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
FASN P49327 1/20 0.46
PTPN1 P18031 1/20 0.43
TSHR P16473 1/20 0.42
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
PRKCA P17252 1/20 0.39
FAAH O00519 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7611682 0.94 FASN (0.53) ALDH1A1FASNPTPN1TSHRPRKCA
SCHEMBL21112082 0.94 FASN (0.53) ALDH1A1FASNPTPN1TSHRPRKCA
SCHEMBL21112081 0.94 FASN (0.53) ALDH1A1FASNPTPN1TSHRPRKCA
SCHEMBL7197131 0.93 FASN (0.56) ALDH1A1FASNPTPN1TSHRPRKCA
SCHEMBL808759 0.88 ALDH1A1 (0.50) ALDH1A1PTPN1F7F3PRKCA
SCHEMBL1301526 0.88 ALDH1A1 (0.41) ALDH1A1FASNPTPN1TSHRPRKCA
SCHEMBL808761 0.88 ALDH1A1 (0.50) ALDH1A1PTPN1F7F3PRKCA
SCHEMBL15237135 0.88 ALDH1A1 (0.50) ALDH1A1PTPN1F7F3PRKCA
SCHEMBL1301525 0.88 ALDH1A1 (0.41) ALDH1A1FASNPTPN1TSHRPRKCA
SCHEMBL1302234 0.85 ALDH1A1 (0.57) ALDH1A1FASNPTPN1TSHRF7

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
CN-119541903-B Method for identifying effectiveness of gastrodia elata extract in preventing and treating parkinsonism 中国农业科学院农产品加工研究所 2025-06-13 CN claimed
CN-119541903-A Method for identifying effectiveness of gastrodia elata extract in preventing and treating parkinsonism 中国农业科学院农产品加工研究所 2025-02-28 CN claimed