SCHEMBL23399237

SCHEMBL23399237

Cc1ccc(-c2[nH]n(C(C)C)c(=O)c2CC(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 1/20 0.32
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 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
SCHEMBL23402006 0.87 RAB9A (0.35) MAPTKDM4EALDH1A1ADORA2AADORA2B
SCHEMBL23400433 0.87 CYBB (0.39) KDM4EALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL23402871 0.84 CYBB (0.45) MAPTKDM4EALDH1A1ADORA2AADORA2B
SCHEMBL23403363 0.84 ADORA2A (0.36) MAPTKDM4EALDH1A1ADORA2AADORA2B
SCHEMBL23399423 0.83 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AMEN1POLB
SCHEMBL23399057 0.83 CYBB (0.39) MAPTKDM4EALDH1A1ADORA2AADORA2B
SCHEMBL23401807 0.81 ADORA2A (0.34) MAPTKDM4EALDH1A1ADORA2AADORA2B
SCHEMBL23398777 0.81 MAPT (0.36) MAPTKDM4EALDH1A1ADORA2AADORA2B
SCHEMBL23400471 0.81 SMN1; SMN2 (0.46) MAPTKDM4EALDH1A1RAB9ACYP1A2
SCHEMBL23401226 0.80 HPGD (0.42) MAPTKDM4EALDH1A1ADORA2AADORA2B

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