SCHEMBL30947779

SCHEMBL30947779

CCCCCC1CCC(CCCCCCCNCCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SAT1 P21673 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
TP53 P04637 1/20 0.41
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL19594869 0.91 ALDH1A1 (0.56) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL22857722 0.91 ALDH1A1 (0.56) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL22216929 0.83 SIGMAR1 (0.48) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL1464855 0.82 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL818323 0.82 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL7637730 0.82 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL16390105 0.82 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL7636057 0.82 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL474300 0.82 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL118940 0.82 ALDH1A1 (0.68) ALDH1A1TSHRS1PR2S1PR4S1PR1

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-2024106715-A1 CATIONIC LIPIDS AND METHOD FOR PREPARING SAME 주식회사 삼양홀딩스 2024-05-23 WO disclosed