SCHEMBL28975322

SCHEMBL28975322

NC(=O)OC(=O)CCCC=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
MAPT P10636 2/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PTGS2 P35354 1/20 0.31
PDE4D Q08499 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.30
CNR1 P21554 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
SCHEMBL28886290 0.84 HIF1A (0.43) HIF1AMAPTTSHRALDH1A1NR1I2
SCHEMBL28230505 0.84 HIF1A (0.43) HIF1AMAPTTSHRALDH1A1NR1I2
SCHEMBL21113748 0.82 HIF1A (0.41) HIF1AMAPTTSHRALDH1A1NR1I2
SCHEMBL28754463 0.82 HIF1A (0.41) HIF1AMAPTTSHRALDH1A1NR1I2
SCHEMBL28504933 0.82 HIF1A (0.41) HIF1AMAPTTSHRALDH1A1LMNA
SCHEMBL27852411 0.81 TSHR (0.46) TSHRALDH1A1
SCHEMBL23754668 0.79 HIF1A (0.43) HIF1AMAPTTSHRALDH1A1LMNA
SCHEMBL9226957 0.78 PTGS1 (0.40) HIF1AMAPTTSHRALDH1A1NR1I2
SCHEMBL19320247 0.77 HIF1A (0.41) HIF1AMAPTTSHRALDH1A1NR1I2
SCHEMBL3625646 0.77 ALDH1A1 (0.45) HIF1AMAPTTSHRALDH1A1LMNA

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-218501688-U Device for separating methanol in process of preparing pentanedicarbamate 中国科学院过程工程研究所 2023-02-21 CN disclosed