SCHEMBL6916806

SCHEMBL6916806

CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 5/20 0.35
▸ PRKCA P17252 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGFR P43088 1/20 0.34
▸ TRPV1 Q8NER1 4/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ NAAA Q02083 1/20 0.33

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
SCHEMBL2793920 1.00 PTGER2 (0.35) PTGER2PRKCATSHRHTTSMN1; SMN2
SCHEMBL15526611 0.93 PRKCA (0.34) PTGER2PRKCATSHRHTTSMN1; SMN2
SCHEMBL16206614 0.87 ALDH1A1 (0.36) PTGER2TSHRALOX5TBXA2RPTGFR
SCHEMBL16206615 0.85 NAAA (0.37) PTGER2PRKCAALOX5TBXA2RPTGFR
SCHEMBL22002723 0.85 ALDH1A1 (0.38) PTGER2TSHRALOX5TBXA2RPTGFR
SCHEMBL22002779 0.85 ALDH1A1 (0.38) PTGER2TSHRALOX5TBXA2RPTGFR
SCHEMBL19914951 0.85 ALDH1A1 (0.38) PTGER2TSHRALOX5TBXA2RPTGFR
SCHEMBL12715085 0.84 PTGER2 (0.35) PTGER2PRKCATSHRHTTSMN1; SMN2
SCHEMBL8676301 0.83 ALOX5 (0.44) PTGER2TSHRALOX5TBXA2RPTGFR
SCHEMBL8674597 0.83 ALOX5 (0.44) PTGER2TSHRALOX5TBXA2RPTGFR

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
WO-2004108652-A2 ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF METHYL DIHYDROEPIJASMONATE UNIVERSITA' DEGLI STUDI DI PAVIA (IT) 2004-12-16 — — WO disclosed
EP-0585104-B1 A method of preparing a saturated monocyclic hydrocarbon compound and an intermediate therefor JAPAN TOBACCO INC (JP) 1997-03-19 — — EP disclosed
Send feedback