SCHEMBL23399052

SCHEMBL23399052

CCCCc1c(O)c(CC(C)C)nn1-c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.34
KDM4E B2RXH2 3/20 0.33
USP2 O75604 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
GCGR P47871 1/20 0.33
TP53 P04637 4/20 0.32
MAPT P10636 4/20 0.32
NFKB1 P19838 2/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL23400453 0.92 CACNA1H (0.36) CACNA1HKDM4EUSP2HSD17B10HPGD
SCHEMBL23401803 0.90 CACNA1H (0.37) CACNA1HKDM4EUSP2HSD17B10HPGD
SCHEMBL23401858 0.88 CACNA1H (0.42) CACNA1HUSP2MAPK1POLBALDH1A1
SCHEMBL23400175 0.88 RAB9A (0.35) KDM4EUSP2HSD17B10TP53MAPT
SCHEMBL23403481 0.87 CACNA1H (0.37) CACNA1HKDM4EUSP2HSD17B10HPGD
SCHEMBL23398827 0.87 MAPT (0.35) KDM4EUSP2HSD17B10TP53MAPT
SCHEMBL23402940 0.87 PDE4A (0.36) KDM4EUSP2HSD17B10GCGRTP53
SCHEMBL23403176 0.86 KMT2A (0.37) KDM4EHPGDNPC1POLBSMN1; SMN2
SCHEMBL23403032 0.86 CACNA1H (0.41) CACNA1HKDM4EUSP2HSD17B10HPGD
SCHEMBL23401506 0.84 ALDH1A1 (0.36) KDM4EUSP2HSD17B10TP53MAPT

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