SCHEMBL9795478

SCHEMBL9795478

CC(C)CC(=O)CC(=O)c1ccccc1.CC(C)CC(=O)CC(=O)c1ccccc1.[Zn]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
HPGD P15428 4/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP3A4 P08684 2/20 0.57
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 2/20 0.57
ALOX15 P16050 1/20 0.57
CES1 P23141 1/20 0.57
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
PTPN1 P18031 2/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2874488 0.98 KMT2A (0.59) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL10444736 0.88 ACHE (0.44) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL28195232 0.85 TSHR (0.57) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL26185950 0.82 KMT2A (0.53) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL27513320 0.82 KMT2A (0.53) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL9799560 0.82 TSHR (0.63) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL2026026 0.82 TSHR (0.63) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL9181060 0.80 KMT2A (0.55) KMT2AHPGDMEN1MAPTSMN1; SMN2
SCHEMBL1977011 0.80 KMT2A (0.80) KMT2AHPGDMEN1MAPTSMN1; SMN2
Benzoic Acid SCHEMBL11324238 0.79 TSHR (0.58) KMT2AHPGDMAPTSMN1; SMN2KDM4E

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
US-5055502-A Storage stable, moisture curable to elastomers RHONE-POULENC CHIMIE (FR) 1991-10-08 US claimed