SCHEMBL23399124

SCHEMBL23399124

CCc1c(C(C)(C)C)[nH]n(CC(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL23400998 0.87 SMN1; SMN2 (0.33) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23401913 0.87 SMN1; SMN2 (0.34) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23402707 0.84 DCTPP1 (0.32) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23400402 0.82 CYP1A2 (0.30) HPGD
SCHEMBL23398470 0.79 SMN1; SMN2 (0.35) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23401582 0.79 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL23399708 0.79 SMN1; SMN2 (0.35) SMN1; SMN2PDE2APDE1APDE1BPDE1C
SCHEMBL23399326 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23401687 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT
SCHEMBL23402092 0.77 ALDH1A1 (0.36) SMN1; SMN2MEN1ALDH1A1POLBMAPT

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
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