SCHEMBL23403602

SCHEMBL23403602

CC(C)n1[nH]c(C(C)(C)C)c(-c2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
LMNA P02545 6/20 0.37
TP53 P04637 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
SLC11A2 P49281 2/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 4/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 4/20 0.34

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
SCHEMBL23403243 0.86 KDM4E (0.33) GAAKCNQ3KCNQ2LMNATP53
SCHEMBL23402029 0.79 GAA (0.42) GAAALOX15KCNQ3KCNQ2LMNA
SCHEMBL23399746 0.79 GAA (0.58) GAAALOX15LMNATP53HSD17B10
SCHEMBL23402957 0.79 MAT2A (0.46) GAAALOX15HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL23400777 0.78 DPP4 (0.45) GAAALOX15KCNQ3KCNQ2LMNA
SCHEMBL23399113 0.78 GAA (0.41) GAAALOX15LMNATP53HSD17B10
SCHEMBL23399799 0.78 GAA (0.44) GAAALOX15KCNQ3KCNQ2LMNA
SCHEMBL23401469 0.76 GAA (0.64) GAAALOX15LMNATSHRALDH1A1
SCHEMBL23398653 0.75 KDM4E (0.49) GAAALOX15LMNATP53HSD17B10
SCHEMBL23400215 0.75 ALDH1A1 (0.36) GAAALOX15LMNATP53HSD17B10

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