SCHEMBL9632076

SCHEMBL9632076

C=CCc1ccccc1C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
KEAP1 Q14145 1/20 0.48
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
EGLN1 Q9GZT9 2/20 0.43
BCAT2 O15382 1/20 0.43
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL9743771 0.80 KEAP1 (0.53) MAPTKEAP1HPGDL3MBTL1LMNA
SCHEMBL6844310 0.80 KEAP1 (0.53) MAPTHDAC3HDAC1KEAP1HPGD
Benzene SCHEMBL27083018 0.79 FOLH1 (0.55) MAPTHPGDGAAKMT2AHTT
SCHEMBL89060 0.79 FOLH1 (0.55) MAPTHPGDGAAKMT2AHTT
SCHEMBL11668031 0.79 BCAT2 (0.64) MAPTHDAC3HDAC1HPGDLMNA
SCHEMBL31448014 0.79 KEAP1 (0.62) MAPTKEAP1GAAEGLN1KMT2A
SCHEMBL16566821 0.79 KEAP1 (0.51) MAPTKEAP1HPGDL3MBTL1LMNA
SCHEMBL1276161 0.79 KEAP1 (0.51) MAPTKEAP1HPGDL3MBTL1LMNA
SCHEMBL9743474 0.79 KEAP1 (0.51) MAPTKEAP1HPGDL3MBTL1LMNA
SCHEMBL9356378 0.79 KDM4E (0.44) MAPTHDAC3HDAC1HPGDLMNA

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-5082588-A Hygrometers ELLIOTT STANLEY B (US) 1992-01-21 US claimed