SCHEMBL23402000

SCHEMBL23402000

CCCc1nn(-c2cccc(C)c2)c(CC(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1H O95180 1/20 0.38
CTSK P43235 1/20 0.36
RPA1 P27694 1/20 0.35
APLNR P35414 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RIPK2 O43353 1/20 0.33
SMO Q99835 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL23399222 0.93 LMNA (0.37) ALDH1A1LMNAMAPTCACNA1HCTSK
SCHEMBL23401543 0.90 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCACNA1HCTSK
SCHEMBL23398701 0.90 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCACNA1HCTSK
SCHEMBL23400173 0.90 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCACNA1HRPA1
SCHEMBL23402779 0.89 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23400637 0.87 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23402738 0.86 CACNA1H (0.46) ALDH1A1LMNAMAPTCACNA1HL3MBTL1
SCHEMBL23400091 0.86 LMNA (0.37) ALDH1A1LMNAMAPTCACNA1HCTSK
SCHEMBL23402048 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23401615 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCACNA1HCTSK

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