SCHEMBL23403200

SCHEMBL23403200

CC(C)Cn1c(=O)c(NC=O)c(C(C)(C)C)n1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
FPR2 P25090 2/20 0.35
FPR1 P21462 1/20 0.35
ABCB1 P08183 4/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL23398790 0.86 FPR2 (0.37) KDM4EFPR2FPR1ABCB1ALDH1A1
SCHEMBL23400047 0.84 ALDH1A1 (0.38) KDM4EFPR2FPR1ALDH1A1GAA
SCHEMBL23403472 0.84 FPR2 (0.38) KDM4ECYP1A2CYP2D6FPR2FPR1
SCHEMBL23403258 0.84 KDM4E (0.43) KDM4ECYP1A2CYP2D6FPR2ABCB1
SCHEMBL23403006 0.82 KMT2A (0.37) FPR2FPR1ALDH1A1GAATDP1
SCHEMBL23400764 0.82 FPR2 (0.43) KDM4EFPR2FPR1ABCB1ALDH1A1
SCHEMBL23401508 0.82 ALDH1A1 (0.43) KDM4ECYP1A2CYP2D6FPR2FPR1
SCHEMBL23400240 0.81 SMN1; SMN2 (0.37) KDM4ECYP1A2CYP2D6ABCB1ALDH1A1
SCHEMBL23403649 0.81 KDM4E (0.36) KDM4ECYP1A2CYP2D6FPR2ABCB1
SCHEMBL23402894 0.81 FPR2 (0.39) KDM4ECYP1A2CYP2D6FPR2FPR1

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