SCHEMBL25867921

SCHEMBL25867921

CC(C)(C)C(=O)c1ccc(CCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.59
CYP4F2 P78329 2/20 0.53
PPARA Q07869 2/20 0.53
CA2 P00918 1/20 0.44
HSD17B10 Q99714 1/20 0.43
RARB P10826 5/20 0.42
PLK1 P53350 1/20 0.42
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
ESRRG P62508 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL9808693 0.87 CYP4A11 (0.57) CYP4A11CYP4F2PPARACA2HSD17B10
SCHEMBL10001142 0.85 RARB (0.59) HSD17B10RARBPLK1THRATHRB
SCHEMBL11664614 0.84 RARB (0.60) RARBTHRATHRB
SCHEMBL13246797 0.82 THRA (0.61) RARBTHRATHRB
SCHEMBL13246796 0.82 THRA (0.61) RARBTHRATHRB
SCHEMBL13246795 0.82 THRA (0.61) RARBTHRATHRB
SCHEMBL13543227 0.81 PLK1 (0.56) RARBPLK1THRATHRBPOLB
SCHEMBL24652963 0.80 CYP4A11 (0.50) CYP4A11CYP4F2PPARARARBPLK1
SCHEMBL8242799 0.80 EPHX2 (0.50) PPARACA2THRATHRB
SCHEMBL21764402 0.79 TAAR1 (0.47) CA2ESRRG

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-20230231142-A1 FUNCTIONALIZED CROSS-LINKED POLYMER NETWORKS, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2023-07-20 US disclosed