SCHEMBL25001067

SCHEMBL25001067

CC(C)c1ccccc1C1(C(=O)O)CC(=O)N(COCCSI)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.33
CYP3A4 P08684 6/20 0.33
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 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
SCHEMBL25001526 0.91 LPAR1 (0.32) LPAR1CYP3A4
SCHEMBL25001069 0.85 LPAR1 (0.35) LPAR1CYP3A4
SCHEMBL25001522 0.77 NPC1 (0.37) LPAR1CYP3A4
SCHEMBL30168357 0.74 LPAR1 (0.34) LPAR1CYP3A4
SCHEMBL25001066 0.74 LPAR1 (0.39) LPAR1CYP3A4
SCHEMBL30168354 0.69 LPAR1 (0.41) LPAR1CYP3A4
SCHEMBL25001523 0.69 LPAR1 (0.41) LPAR1CYP3A4
SCHEMBL25001486 0.64 LPAR1 (0.38) LPAR1CYP3A4
SCHEMBL30168397 0.63 KDM1A (0.44) LPAR1CYP3A4LPAR2LPAR3
SCHEMBL25001440 0.63 LPAR1 (0.40) LPAR1CYP3A4

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
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed