SCHEMBL8517277

SCHEMBL8517277

C=CCC(CO)C(C)(O)C=C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6658042 0.68 TSHR (0.32)
SCHEMBL2894401 0.66
SCHEMBL2893192 0.66
SCHEMBL719221 0.66
SCHEMBL3109209 0.65 ALOX15 (0.41) ALOX15
SCHEMBL11575827 0.65 ALOX15 (0.32) ALOX15
SCHEMBL8047504 0.65
SCHEMBL25411475 0.64
SCHEMBL7624149 0.64 MEN1 (0.33) MEN1CYP3A4ALOX15KMT2A
SCHEMBL3818270 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed