SCHEMBL27280487

SCHEMBL27280487

CCCCCCCCNCCCCC(C)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.48
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
ACE2 Q9BYF1 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CYP2D6 P10635 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL10496451 0.92 TSHR (0.52) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL20427541 0.87 TSHR (0.62) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL12478863 0.87 TSHR (0.62) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL18615410 0.87 TSHR (0.62) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL12479972 0.87 TSHR (0.62) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL18721219 0.87 TSHR (0.62) TSHRALDH1A1LMNAS1PR2S1PR4
SCHEMBL19994227 0.87 TSHR (0.62) TSHRALDH1A1LMNAACE2CYP2D6
SCHEMBL18265498 0.87 TSHR (0.62) TSHRALDH1A1LMNAACE2CYP2D6
SCHEMBL7681938 0.87 TSHR (0.62) TSHRALDH1A1LMNAACE2CYP2D6
SCHEMBL704286 0.87 TSHR (0.62) TSHRALDH1A1LMNAACE2CYP2D6

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
WO-2023242424-A1 BIO-BASED SURFACTANTS DERIVED FROM CARBOHYDRATES COÖPERATIE KONINKLIJKE COSUN U.A. (NL) 2023-12-21 WO disclosed