SCHEMBL23398578

SCHEMBL23398578

CCCc1c(CC(C)C)c(O)nn1-c1cccc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CTSK P43235 1/20 0.36
RPA1 P27694 1/20 0.35
APLNR P35414 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
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
RIPK2 O43353 1/20 0.33
CACNA1H O95180 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
USP2 O75604 1/20 0.33
IDO1 P14902 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
SCHEMBL23402417 0.93 ALDH1A1 (0.36) ALDH1A1CTSKRPA1APLNRL3MBTL1
SCHEMBL23400564 0.90 ALDH1A1 (0.38) ALDH1A1CTSKRPA1APLNRL3MBTL1
SCHEMBL23400869 0.90 ALDH1A1 (0.40) ALDH1A1CTSKRPA1APLNRL3MBTL1
SCHEMBL23401595 0.90 ALDH1A1 (0.41) ALDH1A1RPA1L3MBTL1GAAMAPK1
SCHEMBL23400894 0.89 ALDH1A1 (0.42) ALDH1A1CTSKRPA1APLNRL3MBTL1
SCHEMBL23398529 0.87 ALDH1A1 (0.41) ALDH1A1CTSKRPA1APLNRL3MBTL1
SCHEMBL23401373 0.87 LMNA (0.38) ALDH1A1CTSKRPA1APLNRL3MBTL1
SCHEMBL23401478 0.86 ALDH1A1 (0.40) ALDH1A1CTSKRPA1APLNRL3MBTL1
SCHEMBL23399760 0.86 USP2 (0.41) ALDH1A1GAAMAPK1HSD17B10LMNA
SCHEMBL23402586 0.85 KMT2A (0.36) ALDH1A1GAAMAPK1HSD17B10LMNA

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