SCHEMBL30168397

SCHEMBL30168397

CC(C)c1ccccc1C1(C(=O)O)CCN(C(=O)OC(C)(C)C)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.39
LPAR1 Q92633 9/20 0.38
CYP3A4 P08684 4/20 0.38
USP1 O94782 2/20 0.37
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
NR1H2 P55055 3/20 0.36
RXRA P19793 2/20 0.36
NR1H3 Q13133 2/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL25001079 1.00 KDM1A (0.44) KDM1ATSHRALOX15ATMLPAR1
SCHEMBL29573207 0.83 TSHR (0.54) TSHRALOX15ATMLPAR1CYP3A4
SCHEMBL21582517 0.83 TSHR (0.54) TSHRALOX15ATMLPAR1CYP3A4
SCHEMBL29573084 0.78 TSHR (0.43) TSHRALOX15ATMLPAR1CYP3A4
SCHEMBL22805785 0.78 TSHR (0.43) TSHRALOX15ATMLPAR1CYP3A4
SCHEMBL11914841 0.76 TSHR (0.48) KDM1ATSHRALOX15ATMHSD17B10
SCHEMBL30168356 0.76 LPAR1 (0.53) LPAR1CYP3A4
SCHEMBL30168425 0.75 SCD5 (0.41) TSHRALOX15ATMLPAR1CYP3A4
SCHEMBL25001165 0.75 SCD5 (0.41) TSHRALOX15ATMLPAR1CYP3A4
SCHEMBL25001066 0.72 LPAR1 (0.39) ALOX15LPAR1CYP3A4

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