SCHEMBL30744075

SCHEMBL30744075

CCCCCC=CC=CC=CC=CO

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TSHR P16473 1/20 0.61
FASN P49327 1/20 0.53
FAAH O00519 6/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 3/20 0.42

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
SCHEMBL30938688 1.00 ALDH1A1 (0.61) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL6817755 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL16986053 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL1806494 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL1806493 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL10445274 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL1404382 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL9786201 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL2111943 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E
SCHEMBL3687811 0.98 ALDH1A1 (0.59) ALDH1A1TSHRFASNFAAHKDM4E

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-115490589-B Synthesis method of sex attractant for potato tuber moth 贵州大学 2024-02-09 CN disclosed