SCHEMBL20143363

SCHEMBL20143363

C=COC(CCCCCCCC)C(O)CCCCCCCC(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
SPHK1 Q9NYA1 2/20 0.36
CYP2D6 P10635 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
ABCB1 P08183 1/20 0.32
SGPL1 O95470 4/20 0.32
CSNK1E P49674 1/20 0.31

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
SCHEMBL20143371 0.84 PTPN1 (0.37) PTPN1SPHK1CYP2D6GMNNLMNA
SCHEMBL9251935 0.75 SPHK1 (0.41) PTPN1SPHK1CYP2D6GMNNLMNA
SCHEMBL8895374 0.71 FFAR1 (0.50) SPHK1
SCHEMBL8898396 0.71 FFAR4 (0.46)
SCHEMBL20143063 0.70 PTPN1 (0.40) PTPN1SPHK1ABCB1
SCHEMBL10324081 0.70 ADH1B (0.37) PTPN1SPHK1LMNAABCB1SMPD1
SCHEMBL8896228 0.70 ACACB (0.48)
SCHEMBL9327276 0.69 TSHR (0.47) SMPD1
SCHEMBL9173238 0.69 TSHR (0.47) SMPD1
SCHEMBL3341694 0.69 TSHR (0.47) SMPD1

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
US-9969703-B2 Triazine-containing photocurable resin and preparation method thereof JIANGNAN UNIVERSITY (CN) 2018-05-15 US disclosed