SCHEMBL8520903

SCHEMBL8520903

C=CCC.CC(=O)OC1=CCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
ACHE P22303 1/20 0.33
SRD5A1 P18405 1/20 0.32
PTGS2 P35354 2/20 0.32
PTPN1 P18031 1/20 0.32
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.30
THRB P10828 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
Vinyl Chloride SCHEMBL9861450 0.85 GLA (0.32) PTGS1GLA
SCHEMBL8168840 0.85 GLA (0.32) PTGS1GLA
Formaldehyde SCHEMBL18112525 0.85 LMNA (0.35) PTGS1PTGS2PTPN1KDM4EGLA
SCHEMBL2533106 0.84 LMNA (0.38) PTGS1PTGS2KDM4EGLA
SCHEMBL25113 0.84
Acrylic Acid SCHEMBL8775383 0.84 LMNA (0.37) PTGS1PTGS2KDM4EGLA
SCHEMBL10478097 0.84 ALDH1A1 (0.37) PTGS1GLA
Methyl Alcohol SCHEMBL11662062 0.82 LMNA (0.37) PTGS1PTGS2KDM4EGLA
SCHEMBL14472285 0.82 PTPN1 (0.31) PTPN1
Acrylic Acid Ethyl Ester SCHEMBL5031298 0.82 TSHR (0.38) KMT2ATHRB

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
US-5866646-A TALCS AND FELDSPARS OR NEPHELINE SYENITES, ENHANCED ABRASIVENESS, ANTIBLOCK AGENT JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT 1999-02-02 US disclosed