SCHEMBL30834512

SCHEMBL30834512

CCOC(=O)C1CCC(c2c(C)ccc3cnn(C4CCCCO4)c23)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
EZH2 Q15910 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FEN1 P39748 1/20 0.31
PKM P14618 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
SCHEMBL21733523 1.00 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21243910 0.86 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21733527 0.79 MEN1 (0.34) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL21733778 0.78 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30834515 0.78 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30834539 0.74 RXRA (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21722234 0.74 RXRA (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21722547 0.74 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25290373 0.74 RXRA (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21722170 0.74 ALDH1A1 (0.39) CYP4F2CYP4A11RXRARXRBRXRG

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
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed