SCHEMBL23401952

SCHEMBL23401952

CC(C)Cc1nn(-c2ccccc2)c(CC(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.50
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
POLB P06746 2/20 0.38
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 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
SCHEMBL23398767 0.91 CACNA1H (0.45) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23401081 0.91 CACNA1H (0.48) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23402738 0.88 CACNA1H (0.46) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23403479 0.88 CACNA1H (0.44) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23403032 0.86 CACNA1H (0.41) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23401773 0.86 CACNA1H (0.45) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23401858 0.86 CACNA1H (0.42) CACNA1HALDH1A1GAAMAPK1L3MBTL1
SCHEMBL23400500 0.84 CACNA1H (0.47) CACNA1HALDH1A1MAPK1KDM4CPOLB
SCHEMBL23402477 0.84 KDM4C (0.51) CACNA1HALDH1A1KDM4CPOLBHPGD
SCHEMBL23400173 0.84 ALDH1A1 (0.41) CACNA1HALDH1A1GAAMAPK1L3MBTL1

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