SCHEMBL7959809

SCHEMBL7959809

[CH2]c1cc(OC)c(OC)c(OCCCN2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPIN1 Q9Y657 1/20 0.57
SLC29A1 Q99808 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2D6 P10635 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 2/20 0.54
ABCC4 O15439 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CHRM3 P20309 1/20 0.54
HTR2A P28223 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC6A4 P31645 1/20 0.54
SCN1A P35498 1/20 0.54
THPO P40225 1/20 0.54
HTR2B P41595 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL7956633 0.93 POLB (0.56) SPIN1SLC29A1MEN1KMT2ACYP2D6
SCHEMBL7954379 0.90 SLC29A1 (0.53) SPIN1SLC29A1MEN1KMT2ACYP2D6
SCHEMBL7959655 0.88 TSHR (0.60) SPIN1SLC29A1CYP2D6LMNASMN1; SMN2
SCHEMBL7953036 0.83 SLC29A1 (0.50) SLC29A1MEN1KMT2ACYP2D6LMNA
SCHEMBL7953003 0.81 SYK (0.65) SLC29A1CYP2D6TSHRHTR2BALDH1A1
SCHEMBL9197339 0.75 SLC29A1 (0.59) SLC29A1MEN1KMT2ACYP2D6LMNA
SCHEMBL20028142 0.75 EHMT2 (0.67) SPIN1MEN1KMT2ACYP2D6CYP3A4
SCHEMBL4036604 0.74 CYP2D6 (0.60) SPIN1SLC29A1CYP2D6LMNASMN1; SMN2
SCHEMBL19461978 0.74 SPIN1 (0.57) SPIN1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL7954984 0.73 SLC29A1 (0.53) SPIN1SLC29A1MEN1KMT2ACYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US claimed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO claimed
US-6297274-B1 SUBSTITUTED 5-HYDROXYFURANONES WARNER-LAMBERT COMPANY 2001-10-02 US disclosed
WO-1997037985-A1 NONPEPTIDE ENDOTHELIN ANTAGONISTS WITH INCREASED WATER SOLUBILITY WARNER-LAMBERT COMPANY (US) 1997-10-16 WO disclosed