SCHEMBL23401882

SCHEMBL23401882

CCc1c(-c2ccc(C)cc2)[nH]n(CC(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RGS4 P49798 1/20 0.34
▸ RGS8 P57771 1/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ RAD51 Q06609 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ HSD17B10 Q99714 5/20 0.33
▸ TP53 P04637 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL23399909 0.89 CYBB (0.43) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL23398777 0.89 MAPT (0.36) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL23402308 0.88 CYBB (0.38) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL23403203 0.87 ALDH1A1 (0.42) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL23401104 0.85 RAB9A (0.36) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL23398838 0.84 ALDH1A1 (0.36) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL23403685 0.84 ALDH1A1 (0.39) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL23403275 0.82 ADORA2A (0.43) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL23398510 0.82 ALDH1A1 (0.40) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL23400214 0.80 MEN1 (0.43) ALDH1A1HPGDSMN1; SMN2MEN1HTT

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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