SCHEMBL23401648

SCHEMBL23401648

CCCCc1[nH]n(-c2ccc(C)cc2)c(=O)c1CCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 5/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.37
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
RGS4 P49798 1/20 0.36
RGS8 P57771 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KAT8 Q9H7Z6 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
SCHEMBL23399871 0.97 SMN1; SMN2 (0.51) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23400345 0.96 SMN1; SMN2 (0.50) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23402552 0.93 SMN1; SMN2 (0.52) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23399933 0.91 SMN1; SMN2 (0.49) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23403517 0.90 SMN1; SMN2 (0.50) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23402236 0.88 SMN1; SMN2 (0.51) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23403148 0.87 GAA (0.50) GAACYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL23401172 0.87 SMN1; SMN2 (0.45) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23399510 0.85 SMN1; SMN2 (0.45) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4
SCHEMBL23401598 0.85 GAA (0.55) SMN1; SMN2GAACYP1A2CYP2C19CYP3A4

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