SCHEMBL23401447

SCHEMBL23401447

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 5/20 0.40
ALDH1A1 P00352 8/20 0.39
GAA P10253 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KAT8 Q9H7Z6 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
RAB9A P51151 1/20 0.36
PARP14 Q460N5 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL23400149 0.88 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23398903 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23403356 0.87 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23398796 0.86 GAA (0.49) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23401947 0.83 MAPT (0.45) SMN1; SMN2MAPTALDH1A1GAAL3MBTL1
SCHEMBL23403358 0.82 MAPT (0.44) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23402139 0.81 SMN1; SMN2 (0.64) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23402829 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23399003 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1GAACYP1A2
SCHEMBL23399905 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1GAACYP1A2

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