SCHEMBL20868693

SCHEMBL20868693

CCC(=O)OCC1CSCO1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
NAAA Q02083 1/20 0.32
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 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
SCHEMBL93275 0.77
SCHEMBL13486202 0.77
SCHEMBL30613382 0.77 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4
SCHEMBL28191215 0.76 ALDH1A1 (0.53) LMNAPOLBALDH1A1TP53CYP3A4
Methane SCHEMBL6350439 0.76 ALDH1A1 (0.53) LMNAPOLBALDH1A1TP53CYP3A4
Cyclohexane SCHEMBL6352702 0.74 ALDH1A1 (0.52) LMNAPOLBALDH1A1TP53CYP3A4
SCHEMBL1842602 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL30525903 0.71 CHRM2 (0.32)
SCHEMBL153548 0.70 LMNA (0.70) LMNAPOLBALDH1A1
Ethyne SCHEMBL5847794 0.70 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4

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
WO-2019063945-A1 LIQUID HYDROCARBON COPOLYMERS HAVING TWO CYCLOCARBONATE ESTER END GROUPS BOSTIK SA (FR) 2019-04-04 WO disclosed