SCHEMBL9622068

SCHEMBL9622068

CCCOC(=O)OO/C=C(\C)CCC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 3/20 0.31
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
SCHEMBL9622075 1.00 HCAR2 (0.35) HCAR2ALDH1A1LMNA
SCHEMBL9622072 0.81 HCAR2 (0.37) HCAR2ALDH1A1LMNA
SCHEMBL35898 0.73 HCAR2 (0.44) HCAR2ALDH1A1LMNA
Methyl Alcohol SCHEMBL28457148 0.71 HCAR2 (0.43) HCAR2ALDH1A1LMNA
SCHEMBL14775479 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL15482493 0.69 HCAR2 (0.48) HCAR2ALDH1A1LMNA
SCHEMBL4239650 0.69 ALDH1A1 (0.45) HCAR2ALDH1A1LMNA
SCHEMBL2766956 0.69 HCAR2 (0.41) HCAR2ALDH1A1LMNA
SCHEMBL17057 0.68 ALDH1A1 (0.56) HCAR2ALDH1A1LMNA
SCHEMBL11770607 0.68 ALDH1A1 (0.57) HCAR2ALDH1A1LMNA

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-5159098-A Alk-1-enyloxy carbamates ISP INVESTMENTS INC. (US) 1992-10-27 US disclosed