SCHEMBL4909335

SCHEMBL4909335

CC(=O)C(C(C)O)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL11687211 0.87 TP53 (0.35) TP53ALDH1A1TSHRTDP1
SCHEMBL10577521 0.82 TP53 (0.32) TP53ALDH1A1
SCHEMBL28860684 0.82 TP53 (0.32) TP53
SCHEMBL13987981 0.78 TSHR (0.31) ALDH1A1TSHR
SCHEMBL3902662 0.74 LMNA (0.36) TP53ALDH1A1LMNATSHRTDP1
SCHEMBL2407172 0.74 TP53 (0.50) TP53ALDH1A1LMNATSHRTDP1
SCHEMBL13703412 0.73 TP53 (0.35) TP53ALDH1A1TSHRTDP1
SCHEMBL1743181 0.72
SCHEMBL73997 0.72
SCHEMBL42054 0.72

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921300-A1 FORMULATIONS OF CANNABIDIOL DERIVATIVES AND THEIR USE AS MODULATORS OF CANNABINOID RECEPTOR TYPE 2 (CB2) Emerald Health Pharmaceuticals Inc. (US) 2021-12-15 EP disclosed
WO-2020163612-A1 FORMULATIONS OF CANNABIDIOL DERIVATIVES AND THEIR USE AS MODULATORS OF CANNABINOID RECEPTOR TYPE 2 (CB2) EMERALD HEALTH PHARMACEUTICALS INC. (US) 2020-08-13 WO disclosed
US-20080018238-A1 Use Of Phenothiazine-S-Oxides And Phenothiazine -S,S-Dioxides In The Form Of Matrix Materials For Organic Light-Emitting Diodes BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 US disclosed