SCHEMBL9858083

SCHEMBL9858083

CC(C)(CCC1CO1)OC(=O)/C=C\C(=O)OC(C)(C)CCC1CO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MGLL Q99685 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL9858088 0.94 HCAR2 (0.36) ALDH1A1MGLL
SCHEMBL7778354 0.82 ALDH1A1 (0.35) ALDH1A1MGLLTSHRMAPK1
SCHEMBL13864106 0.82 GAA (0.44) ALDH1A1TSHRMAPK1
SCHEMBL13864969 0.81 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL14473470 0.81 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1
SCHEMBL14473384 0.81 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL7778356 0.77 HCAR2 (0.38) ALDH1A1MGLLTSHRMAPK1
SCHEMBL7778355 0.77 HCAR2 (0.38) ALDH1A1MGLLTSHRMAPK1
SCHEMBL13864110 0.76 ELANE (0.35) ALDH1A1TSHRMAPK1
SCHEMBL14473746 0.76 SERPINE1 (0.31) ALDH1A1TSHR

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-0409992-A1 PROCESS FOR PRODUCING THERMOPLASTIC ELASTOMER MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-01-30 EP disclosed