SCHEMBL6011972

SCHEMBL6011972

CCCC(C)(S)CCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
KDM4E B2RXH2 1/20 0.30
GGPS1 O95749 1/20 0.30

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
SCHEMBL4542053 0.83 TSHR (0.42) TSHRGGPS1
SCHEMBL9562615 0.83 TSHR (0.42) TSHRGGPS1
SCHEMBL11661346 0.82 LMNA (0.46) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3206958 0.80
SCHEMBL3193254 0.80
SCHEMBL333113 0.80
SCHEMBL18343099 0.80 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL6512789 0.78
SCHEMBL13616877 0.78 TSHR (0.47) TSHRGGPS1
SCHEMBL21190196 0.78 TSHR (0.47) TSHRGGPS1

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
EP-1658863-A1 DEODORANT Kao Corporation (JP) 2006-05-24 EP disclosed