SCHEMBL11468671

SCHEMBL11468671

CCOC(=O)C1(CCCCCOC(C)=O)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ABCB11 O95342 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 3/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PRKCA P17252 5/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIRT2 Q8IXJ6 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
SCHEMBL4812034 0.86 SIRT2 (0.43) CYP2C19CYP3A4SIRT2
SCHEMBL6905227 0.86 SIRT2 (0.43) CYP2C19CYP3A4SIRT2
SCHEMBL4804036 0.85 CYP2C19 (0.39) MAPTALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL4810386 0.85 SIRT2 (0.40) ALDH1A1CYP2C19CYP3A4TSHRCYP2C9
SCHEMBL11855720 0.83 PRKCA (0.39) ALDH1A1CYP2C19CYP3A4PRKCATSHR
SCHEMBL6907567 0.82 CYP3A4 (0.39) CYP3A4SIRT2
SCHEMBL4811574 0.82 CYP2C19 (0.41) MAPTALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL10477317 0.81 CYP1A2 (0.39) MAPTALDH1A1CYP2C19CYP3A4PRKCA
SCHEMBL28043401 0.81 CYP3A4 (0.36) ALDH1A1CYP2C19CYP3A4POLBSMN1; SMN2
SCHEMBL10940755 0.81 CYP2C19 (0.39) LMNAABCB11MAPTMAPK1ALDH1A1

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-4182773-A Novel prostaglandin derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-08 US disclosed