SCHEMBL17200643

SCHEMBL17200643

CCOC(=O)C1(CCCCC2(C(=O)OCC)CO2)CO1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
ABCB11 O95342 1/20 0.61
MAPK1 P28482 1/20 0.61
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.36
ALOX15 P16050 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 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
SCHEMBL28224731 0.93 MAPT (0.59) LMNAMAPTABCB11MAPK1ATM
SCHEMBL11157443 0.93 MAPT (0.59) LMNAMAPTABCB11MAPK1ATM
SCHEMBL15194530 0.92 LMNA (0.55) LMNAMAPTABCB11MAPK1ATM
SCHEMBL11070268 0.86 ABCB11 (0.53) LMNAMAPTABCB11MAPK1ATM
Cyclopentane SCHEMBL11247040 0.85 LMNA (0.48) LMNAMAPTABCB11MAPK1ATM
SCHEMBL11073407 0.84 ABCB11 (0.49) LMNAMAPTABCB11MAPK1
SCHEMBL14967401 0.83 LMNA (0.46) LMNAMAPTABCB11MAPK1ATM
SCHEMBL11069904 0.83 ABCB11 (0.48) LMNAMAPTABCB11MAPK1
SCHEMBL11076754 0.83 ABCB11 (0.51) LMNAMAPTABCB11MAPK1
SCHEMBL11066327 0.83 ABCB11 (0.51) LMNAMAPTABCB11MAPK1

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-20150307640-A1 POLYBUTADIENE HAVING EPOXY GROUPS EVONIK DEGUSSA GMBH (DE) 2015-10-29 US disclosed