SCHEMBL20868694

SCHEMBL20868694

CCC(=O)OCC1CSC(=S)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
WRN Q14191 1/20 0.37
HIF1A Q16665 1/20 0.37
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL19882500 0.84 PDK1 (0.38) ALDH1A1
SCHEMBL22336953 0.83 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL19882484 0.76 MAPT (0.33) ALDH1A1LPAR1
SCHEMBL19886229 0.75 MGLL (0.33)
SCHEMBL93275 0.70
SCHEMBL13486202 0.70
SCHEMBL12847431 0.70 LMNA (0.49) ALDH1A1HPGDLPAR1LPAR3LMNA
SCHEMBL20868693 0.69 LMNA (0.36) ALDH1A1LPAR1LPAR3LMNAPOLB
Methane SCHEMBL6350439 0.69 ALDH1A1 (0.53) ALDH1A1LMNAPOLB
SCHEMBL28191215 0.69 ALDH1A1 (0.53) ALDH1A1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255587-A1 LIQUID HYDROCARBON-BASED COPOLYMERS BEARING TWO CYCLOCARBONATE ESTER END GROUPS BOSTIK SA (FR) 2020-08-13 US disclosed
WO-2019063945-A1 LIQUID HYDROCARBON COPOLYMERS HAVING TWO CYCLOCARBONATE ESTER END GROUPS BOSTIK SA (FR) 2019-04-04 WO disclosed