SCHEMBL9404178

SCHEMBL9404178

CCCCCCCCCC(=O)OC[C@H]1OC(O)[C@H](OCC)[C@@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.46
DGKA P23743 1/20 0.43
VEGFA P15692 4/20 0.41
SELP P16109 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
PAM P19021 2/20 0.40
AKT1 P31749 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL9404184 0.88 TLR4 (0.46) TLR4DGKALPAR1LPAR3PAM
SCHEMBL11014335 0.88 TLR4 (0.46) TLR4DGKALPAR1LPAR3PAM
SCHEMBL17318241 0.86 TLR4 (0.51) TLR4DGKALPAR1LPAR3PAM
SCHEMBL2830913 0.85 TLR4 (0.53) TLR4DGKAVEGFASELPLPAR1
SCHEMBL9230101 0.85 TLR4 (0.53) TLR4DGKAVEGFASELPLPAR1
SCHEMBL2195712 0.85 TLR4 (0.53) TLR4DGKAVEGFASELPLPAR1
SCHEMBL13561244 0.85 TLR4 (0.53) TLR4DGKAVEGFASELPLPAR1
SCHEMBL2195708 0.85 TLR4 (0.53) TLR4DGKAVEGFASELPLPAR1
SCHEMBL9225257 0.85 TLR4 (0.53) TLR4DGKAVEGFASELPLPAR1
SCHEMBL21662370 0.85 TLR4 (0.53) TLR4DGKAVEGFASELPLPAR1

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
EP-0454772-B1 BLEACHING DETERGENT COMPOSITION NOVO NORDISK AS (DK) 1994-06-15 EP claimed