SCHEMBL23401650

SCHEMBL23401650

CCn1[nH]c(-c2ccccc2C)c(CC(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM5A P29375 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
TP53 P04637 3/20 0.32
CXCR5 P32302 1/20 0.31
CXCR2 P25025 1/20 0.31
CYP1A2 P05177 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
SCHEMBL23401252 0.90 MAPT (0.36) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23400032 0.89 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23401981 0.87 PDE4A (0.41) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23401162 0.86 KDM4E (0.44) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL23401013 0.83 BRD4 (0.38) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23400310 0.83 CYBB (0.40) MAPTKDM4EHSD17B10BRD4NPC1
SCHEMBL23401270 0.82 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23399949 0.81 ALDH1A1 (0.48) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23402176 0.80 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1MEN1POLB
SCHEMBL23400700 0.80 NPC1 (0.40) MAPTSMN1; SMN2ALDH1A1MEN1POLB

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