SCHEMBL28840765

SCHEMBL28840765

COC(=O)C1(CCBr)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.35
P2RX7 Q99572 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CETP P11597 2/20 0.31
MME P08473 2/20 0.31
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6627868 0.98 CYP4F2 (0.61) CYP4F2CYP4A11NPSR1MAPTCYP2C19
SCHEMBL21551325 0.90 CYP4F2 (0.55) CYP4F2CYP4A11NPSR1LMNA
SCHEMBL6628282 0.87 CYP4F2 (0.67) CYP4F2CYP4A11NPSR1MAPTCYP2C19
SCHEMBL6582129 0.85 CYP4F2 (0.70) CYP4F2CYP4A11NPSR1MAPTP2RX7
SCHEMBL27035608 0.84 CYP4F2 (0.53) CYP4F2CYP4A11NPSR1MAPTCYP2C19
SCHEMBL20597647 0.84 CYP4F2 (0.73) CYP4F2CYP4A11NPSR1MAPTP2RX7
SCHEMBL8278881 0.82 CYP4F2 (0.71) CYP4F2CYP4A11NPSR1MAPTCYP2C19
SCHEMBL28778664 0.82 CYP4F2 (0.55) CYP4F2CYP4A11NPSR1MAPTCYP2C19
SCHEMBL6627249 0.81 CYP4F2 (0.65) CYP4F2CYP4A11NPSR1CETPTSHR
SCHEMBL14857995 0.81 CYP4F2 (0.59) CYP4F2CYP4A11NPSR1MAPTCYP2C19

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed