SCHEMBL8696952

SCHEMBL8696952

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1CC(C(=O)O[C@@H](C)C(=O)OC)C1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 3/20 0.40
▸ LPAR5 Q9H1C0 3/20 0.40
▸ PTGES O14684 1/20 0.38
▸ ADAM17 P78536 1/20 0.36

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
SCHEMBL8692770 0.90 LPAR1 (0.41) LPAR1LPAR5PTGES
SCHEMBL8691477 0.89 LPAR1 (0.45) LPAR1LPAR5
SCHEMBL8691589 0.89 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL8692801 0.88 LPAR1 (0.40) LPAR1LPAR5PTGES
SCHEMBL8692615 0.86 LPAR1 (0.40) LPAR1LPAR5PTGESADAM17
SCHEMBL8696604 0.86 LPAR1 (0.42) LPAR1LPAR5ADAM17
SCHEMBL8695447 0.86 LPAR1 (0.38) LPAR1LPAR5PTGES
SCHEMBL8692009 0.85 LPAR1 (0.42) LPAR1LPAR5ADAM17
SCHEMBL8691864 0.85 LPAR1 (0.39) LPAR1LPAR5PTGESADAM17
SCHEMBL8691985 0.85 PPARG (0.42) LPAR1LPAR5

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
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 — — US disclosed
Send feedback