SCHEMBL6430924

SCHEMBL6430924

Cc1ccc(C(C)(C=O)CCCCCCCCCC(C)(c2ccc(C)cc2)C(O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
KIF11 P52732 4/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31

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
SCHEMBL5705548 0.88 OPRM1 (0.34) MAPTKIF11
SCHEMBL5705361 0.88 OPRM1 (0.34) MAPTKIF11
SCHEMBL6430921 0.74 CNR2 (0.39) NPC1MAPTRAB9AKIF11CNR2
SCHEMBL6180988 0.72 ACACB (0.46) KIF11CNR2CNR1
SCHEMBL6797392 0.68 TSHR (0.46) NPC1MAPTRAB9ATSHRKIF11
SCHEMBL19678203 0.68 FFAR4 (0.42) CNR2CNR1
SCHEMBL19678206 0.68 ACACB (0.42) KIF11
SCHEMBL10264393 0.68 ACACB (0.42) KIF11CNR2CNR1
SCHEMBL19678200 0.68 FFAR4 (0.42) CNR2CNR1
SCHEMBL3286655 0.67 HDAC6 (0.39) MAPT

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-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed