SCHEMBL7956624

SCHEMBL7956624

[CH2]c1ccc(OCCC2CCCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.48
CHRNA3 P32297 2/20 0.43
CHEK2 O96017 1/20 0.43

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
SCHEMBL7817605 0.95 LTA4H (0.50) LTA4HCHEK2
SCHEMBL11447699 0.84 LTA4H (0.61) LTA4H
SCHEMBL11457974 0.84 CHRNB4 (0.49) LTA4HCHRNA3
SCHEMBL2482746 0.84 NFE2L2 (0.58) LTA4HCHRNA3CHEK2
SCHEMBL11455721 0.84 LTA4H (0.48) LTA4HCHRNA3
SCHEMBL11448511 0.84 CHRNA3 (0.50) LTA4HCHRNA3CHEK2
SCHEMBL11456190 0.84 LTA4H (0.48) LTA4HCHRNA3
SCHEMBL11447734 0.84 LTA4H (0.67) LTA4HCHRNA3
SCHEMBL6610063 0.84 LTA4H (0.57) LTA4H
Hydrochloric Acid SCHEMBL3963860 0.83 NFE2L2 (0.56) LTA4HCHRNA3CHEK2

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