SCHEMBL23398790

SCHEMBL23398790

CCn1c(=O)c(NC=O)c(C(C)(C)C)n1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.37
FPR1 P21462 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 8/20 0.34
HSD11B1 P28845 1/20 0.34
ABCB1 P08183 3/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
HKDC1 Q2TB90 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
SCHEMBL23403472 0.90 FPR2 (0.38) FPR2FPR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23403006 0.88 KMT2A (0.37) FPR2FPR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23400047 0.87 ALDH1A1 (0.38) FPR2FPR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23403200 0.86 KDM4E (0.35) FPR2FPR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23401508 0.85 ALDH1A1 (0.43) FPR2FPR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23403451 0.82 ALDH1A1 (0.44) FPR2ALDH1A1SMN1; SMN2GAAABCB1
SCHEMBL23399012 0.82 FPR2 (0.44) FPR2FPR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23401111 0.81 FPR2 (0.38) FPR2FPR1ALDH1A1TDP1SMN1; SMN2
SCHEMBL23401644 0.81 FPR2 (0.38) FPR2ALDH1A1SMN1; SMN2GAAHSD11B1
SCHEMBL23401197 0.81 FPR2 (0.46) FPR2FPR1GAAABCB1TSHR

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