SCHEMBL9510329

SCHEMBL9510329

O=C(O)CC(=CCC1COC(=O)O1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.33
CPB1 P15086 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL245246 0.78 SLC22A12 (0.32)
SCHEMBL9510362 0.72 KDM4E (0.36) TSHRKDM4E
SCHEMBL9510368 0.72 KDM4E (0.36) TSHRKDM4E
SCHEMBL15799592 0.71 ITGB3 (0.41) TSHRKDM4EHTTCYP2C19ALDH1A1
SCHEMBL23388293 0.70 CD81 (0.35) HTT
Propylene Carbonate SCHEMBL29778073 0.69 ALDH1A1 (0.30) ALDH1A1
SCHEMBL25322371 0.69 ALDH1A1 (0.45) TSHRKDM4EHTTCYP2C19ALDH1A1
SCHEMBL1924073 0.68
SCHEMBL23795751 0.68 HTT (0.46) TSHRHTTALDH1A1HPGD
SCHEMBL23388296 0.68 CD81 (0.33) HTT

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
EP-0274721-B1 POLYMERS CONTAINING AMINO GROUPS, THEIR MANUFACTURE AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-15 EP disclosed