SCHEMBL8897671

SCHEMBL8897671

CC(C)CC(OC(=O)CCCCC(=O)OC(CC(C)C)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.38
PRKCA P17252 3/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
HSP90AA1 P07900 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 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
SCHEMBL4140768 0.93 TSHR (0.42) LMNAALDH1A1TSHRCYP1A2MEN1
SCHEMBL23810051 0.93 TSHR (0.48) LMNAMAPTMAPK1ALDH1A1TSHR
SCHEMBL6379709 0.89 TSHR (0.47) LMNATSHRMMP1MMP2MMP3
SCHEMBL23810012 0.89 TSHR (0.54) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL23810076 0.86 ALDH1A1 (0.43) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL20998589 0.86 KISS1R (0.47) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL23059561 0.84 LMNA (0.35) LMNAMAPTMAPK1ALDH1A1TSHR
SCHEMBL6379703 0.84 EGLN1 (0.39) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL23814197 0.81 MMP1 (0.35) LMNAALDH1A1PRKCATSHRMMP1
SCHEMBL3765880 0.80 LMNA (0.52) LMNAMAPTMAPK1ALDH1A1PRKCA

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-5702709-A CONTAINING ORGANOPHILIC CLAY ENVIRODERM PHARMACEUTICALS, INC. (US) 1997-12-30 US claimed