SCHEMBL30924809

SCHEMBL30924809

C=CC=CC(C)=CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
EP300 Q09472 1/20 0.41
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
FASN P49327 1/20 0.34
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL30698180 0.81 TRPA1 (0.48) TSHREP300PTPN1ALDH1A1FASN
SCHEMBL13825221 0.81 TRPA1 (0.48) TSHREP300PTPN1ALDH1A1FASN
SCHEMBL23087045 0.81 TRPA1 (0.48) TSHREP300PTPN1ALDH1A1FASN
SCHEMBL23087043 0.81 TRPA1 (0.48) TSHREP300PTPN1ALDH1A1FASN
SCHEMBL28912640 0.81 TRPA1 (0.48) TSHREP300PTPN1ALDH1A1FASN
SCHEMBL11514916 0.80 EP300 (0.39) TSHREP300PTPN1ALDH1A1MEN1
SCHEMBL31659037 0.79 TSHR (0.52) TSHREP300PTPN1ALDH1A1MEN1
SCHEMBL31659096 0.79 TSHR (0.52) TSHREP300PTPN1ALDH1A1MEN1
SCHEMBL31659092 0.79 TSHR (0.52) TSHREP300PTPN1ALDH1A1MEN1
SCHEMBL11421077 0.79 TSHR (0.52) TSHREP300PTPN1ALDH1A1MEN1

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
CN-118125919-A Preparation method of conjugated triene compound 华南理工大学 2024-06-04 CN disclosed