SCHEMBL29003306

SCHEMBL29003306

Oc1cc(Br)cc2c1cnn2C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ATR Q13535 7/20 0.33
RET P07949 1/20 0.32
PDE9A O76083 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DGAT2 Q96PD7 1/20 0.31
CYP2C19 P33261 1/20 0.31
WDR5 P61964 1/20 0.31
KDM5A P29375 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
SCHEMBL27376556 0.84 ALDH1A1 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30811797 0.84 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29176223 0.84 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29921466 0.84 CYP4F2 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20699339 0.84 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25413737 0.84 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30161576 0.84 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1709840 0.84 CYP4F2 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20699355 0.84 CYP4F2 (0.45) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31393213 0.84 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157388-A Carbocyclic amide derivative and application thereof in medicine 四川海思科制药有限公司 2023-05-23 CN disclosed
WO-2022053000-A1 CARBOCYCLIC AMIDE DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2022-03-17 WO disclosed