SCHEMBL7169652

SCHEMBL7169652

C=CCc1c(OCOC)cccc1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.39
CDC25B P30305 3/20 0.39
PTPN1 P18031 1/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL7169135 0.89 TSHR (0.46) TSHRHSD17B10KDM4EALDH1A1CDC25B
SCHEMBL4984915 0.87 TSHR (0.50) TSHRHSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL6677331 0.83 PPIA (0.51) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL12417943 0.80 TSHR (0.62) TSHRHSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL4987083 0.79 CA12 (0.54) TSHRHSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL16401931 0.78 HSD17B10 (0.60) TSHRHSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL2422146 0.74 KDM4E (0.48) TSHRHSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL9528504 0.72 CNR1 (0.41) KDM4EALDH1A1CYP3A4MEN1KMT2A
SCHEMBL28399309 0.72 SGMS2 (0.47) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL1425344 0.72 NUDT1 (0.47) TSHRHSD17B10KDM4EALDH1A1CYP3A4

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-6569894-B1 Such as N-(3-(2-(4-phenylbutyl)-2,3-dihydrobenzofuran-4-yl)propyl)acetamide for treating circadian rhythm-related disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed