SCHEMBL23399708

SCHEMBL23399708

CC(C)Cn1[nH]c(C(C)(C)C)c(C(C)(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ PDE1A P54750 2/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ PDE1C Q14123 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DAO P14920 1/20 0.32
▸ RGS4 P49798 1/20 0.31
▸ ADORA2A P29274 2/20 0.30
▸ ADORA2B P29275 2/20 0.30

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
SCHEMBL23398899 0.82 SMN1; SMN2 (0.35) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23398470 0.82 SMN1; SMN2 (0.35) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23399860 0.82 SMN1; SMN2 (0.35) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23400290 0.79 MEN1 (0.34) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23401402 0.79 MEN1 (0.34) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23399124 0.79 SMN1; SMN2 (0.34) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23401913 0.79 SMN1; SMN2 (0.34) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23402312 0.77 MEN1 (0.33) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23400998 0.77 SMN1; SMN2 (0.33) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23399324 0.76 ALDH1A1 (0.33) ALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
Send feedback