SCHEMBL23399510

SCHEMBL23399510

CCCCc1[nH]n(-c2ccc(C)cc2)c(=O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.40
MAPT P10636 5/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 3/20 0.36

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
SCHEMBL23403615 0.91 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTHTTCYP1A2
SCHEMBL23401622 0.88 GAA (0.48) SMN1; SMN2ALDH1A1MAPTHTTKDM4E
SCHEMBL23399871 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTHTTCYP1A2
SCHEMBL23399933 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTHTTCYP1A2
SCHEMBL23401648 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTHTTCYP1A2
SCHEMBL23399767 0.84 KDM4E (0.50) SMN1; SMN2ALDH1A1MAPTHTTCYP1A2
SCHEMBL23398452 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL23403517 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTHTTCYP1A2
SCHEMBL23400345 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTHTTCYP1A2
SCHEMBL23398784 0.83 ALKBH5 (0.43) SMN1; SMN2MAPTHTTCYP2C19CYP2C9

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