SCHEMBL23399185

SCHEMBL23399185

CC(C)Cc1[nH]n(C(C)(C)C)c(=O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 6/20 0.38
ALOX15 P16050 1/20 0.37
DPP4 P27487 3/20 0.36
RCE1 Q9Y256 1/20 0.35
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC11A2 P49281 2/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 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
SCHEMBL23402851 0.84 KDM4E (0.52) LMNASMN1; SMN2HTTMAPTGAA
SCHEMBL23402905 0.81 KDM4E (0.46) LMNASMN1; SMN2HTTMAPTGAA
SCHEMBL23401259 0.81 GAA (0.40) LMNASMN1; SMN2HTTGAAALDH1A1
SCHEMBL23399709 0.79 GAA (0.39) LMNASMN1; SMN2HTTMAPTGAA
SCHEMBL23403433 0.79 KDM4E (0.56) LMNASMN1; SMN2HTTMAPTGAA
SCHEMBL23403626 0.78 GAA (0.59) LMNAHTTMAPTGAACYP2C9
SCHEMBL23398830 0.78 KDM4E (0.39) LMNASMN1; SMN2HTTMAPTGAA
SCHEMBL23400964 0.78 SMN1; SMN2 (0.45) SMN1; SMN2HTTMAPTGAAALDH1A1
SCHEMBL23400596 0.78 LMNA (0.43) LMNASMN1; SMN2HTTMAPTGAA
SCHEMBL23399786 0.75 ALDH1A1 (0.45) LMNASMN1; SMN2HTTMAPTGAA

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