SCHEMBL29036832

SCHEMBL29036832

C=C(C)C(=O)OC.O=C1OCCO1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
Propene SCHEMBL28324814 0.93 ALDH1A1 (0.52) ALDH1A1TSHRPOLBRECQLBLM
Oxirane SCHEMBL16412515 0.81 ALDH1A1 (0.75) ALDH1A1TSHRPOLBRECQLBLM
Oxirane SCHEMBL9454868 0.81 ALDH1A1 (0.75) ALDH1A1TSHRPOLBRECQLBLM
Fluoride SCHEMBL5607591 0.80
SCHEMBL4363488 0.79 ALDH1A1 (0.71) ALDH1A1TSHRKMT2AATM
Methacrylic Acid SCHEMBL3207379 0.79 POLB (0.33) POLBRECQLBLML3MBTL1KMT2A
SCHEMBL1849 0.78
SCHEMBL10636466 0.78
SCHEMBL4390490 0.78 ALDH1A1 (1.00) ALDH1A1TSHRKDM4ELMNAHSD17B10
SCHEMBL27466495 0.78 ALDH1A1 (1.00) ALDH1A1TSHRKDM4ELMNAHSD17B10

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-116440874-A Cross-linked spore phenol adsorbent based on aptamer functionalized magnetic hydrophobic polymer and application thereof 北京市农林科学院 2023-07-18 CN disclosed