SCHEMBL23398684

SCHEMBL23398684

Cc1ccc(-c2c(C(C)(C)C)[nH]n(CC(C)C)c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
DPP4 P27487 2/20 0.35
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RGS4 P49798 1/20 0.33
RGS8 P57771 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
PSD A5PKW4 2/20 0.31
KCNQ3 O43525 1/20 0.31

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
SCHEMBL23400777 0.87 DPP4 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23401374 0.84 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23401716 0.82 KDM4E (0.41) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23400128 0.82 ADORA2A (0.38) ALDH1A1SMN1; SMN2KMT2APOLBHPGD
SCHEMBL23399416 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23398510 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23400227 0.80 KMT2A (0.38) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL23401732 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL23403243 0.78 KDM4E (0.33) ALDH1A1MEN1KMT2AHPGDTSHR
SCHEMBL23398468 0.76 GAA (0.35) ALDH1A1MEN1KMT2APOLBMAPT

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