SCHEMBL23957703

SCHEMBL23957703

C[C@H]1CC(C)(C)c2ccc(C(=O)C(C)(C)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.38
RXRB P28702 9/20 0.38
RXRG P48443 6/20 0.33
RARB P10826 6/20 0.33
RARG P13631 6/20 0.33
CYP26A1 O43174 4/20 0.32
CYP26B1 Q9NR63 3/20 0.32
RARA P10276 4/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 2/20 0.31
CRABP2 P29373 1/20 0.31
NTRK1 P04629 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
SCHEMBL9927799 1.00 RXRA (0.38) RXRARXRBRXRGRARBRARG
SCHEMBL9906973 0.90 RXRA (0.39) RXRARXRBRXRGRARBRARG
SCHEMBL23033699 0.89 RXRA (0.35) RXRARXRBRXRGRARBRARG
SCHEMBL1071564 0.82 RXRA (0.46) RXRARXRBRXRGRARBRARG
SCHEMBL17530495 0.82 MAPT (0.42) RXRARXRBRXRGRARBRARG
SCHEMBL14433230 0.79 POLB (0.36) RXRARXRB
SCHEMBL13533488 0.77 RXRA (0.33) RXRARXRB
SCHEMBL24140842 0.72
SCHEMBL6276772 0.72 OPRM1 (0.39)
SCHEMBL29005329 0.71

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-2021213942-A1 COMPOSITIONS, COMPRISING PLATELET-SHAPED TRANSITION METAL PARTICLES BASF SE (DE) 2021-10-28 WO disclosed