SCHEMBL11116978

SCHEMBL11116978

CC(O)COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OCC(C)O)c(Cl)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.35
AR P10275 1/20 0.35
PDE2A O00408 1/20 0.33
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
ADRB3 P13945 3/20 0.33
CYP2C19 P33261 3/20 0.33
SCN4A P35499 2/20 0.33
HTT P42858 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL3625859 0.83 ALDH1A1 (0.64) ALDH1A1LMNATSHRMAPK1AR
SCHEMBL13207146 0.82 GLA (0.46) ALDH1A1LMNATSHRMAPK1SCN4A
SCHEMBL4056261 0.80 LMNA (0.41) LMNATSHRADRB2ADRB1CYP2C19
SCHEMBL19484397 0.79 AR (0.48) ALDH1A1LMNAMAPK1ARHTT
SCHEMBL14392240 0.78 ALDH1A1 (0.57) ALDH1A1LMNATSHRMAPK1AR
SCHEMBL679893 0.78 TSHR (0.58) ALDH1A1LMNATSHRMAPK1AR
SCHEMBL5426562 0.77 ALDH1A1 (0.74) ALDH1A1TSHR
SCHEMBL10406341 0.77 PDE2A (0.36) ALDH1A1TSHRPDE2AHIF1A
SCHEMBL11349119 0.76 LMNA (0.41) ALDH1A1LMNACYP2C19HTTCYP1A2
SCHEMBL7045865 0.75 SMN1; SMN2 (0.38) ALDH1A1TSHRMAPK1ARCYP2C19

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-4454302-A BLEND WITH HALOGEN CONTAINING ACRYLIC RESIN MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1984-06-12 US disclosed