SCHEMBL23401248

SCHEMBL23401248

Cc1ccc(-c2[nH]n(C)c(=O)c2C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.38
ADORA2A P29274 3/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
ALOX5 P09917 1/20 0.33
TP53 P04637 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
SCHEMBL23399304 0.85 ALDH1A1 (0.53) ADORA2BADORA2AKDM4EALDH1A1MAPT
SCHEMBL23399692 0.82 KDM4E (0.44) ADORA2BADORA2AKDM4EALDH1A1MAPT
SCHEMBL23399280 0.82 GAA (0.47) ADORA2BADORA2AKDM4EALDH1A1MAPT
SCHEMBL23399884 0.81 ALDH1A1 (0.40) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL23398786 0.81 PTPN1 (0.40) KDM4EALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL23400792 0.80 ADORA2A (0.41) ADORA2BADORA2AKDM4EALDH1A1MAPT
SCHEMBL23400755 0.80 ADORA2A (0.35) ADORA2BADORA2AKDM4EALDH1A1MAPT
SCHEMBL23402747 0.80 ADORA2A (0.33) ADORA2BADORA2AKDM4EALDH1A1MAPT
SCHEMBL23400177 0.78 MEN1 (0.38) ADORA2BADORA2AKDM4EALDH1A1MAPT
SCHEMBL23401873 0.77 ADORA2A (0.41) ADORA2BADORA2AKDM4EALDH1A1MAPT

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