SCHEMBL30003434

SCHEMBL30003434

Cc1ccc2c(OC(C)c3ccccc3)ccc(-c3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 2/20 0.39
RORC P51449 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
IGLV6-57 P01721 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 2/20 0.36
MLKL Q8NB16 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR6 P50406 2/20 0.36

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
SCHEMBL29101249 0.86 CYP2D6 (0.47) KDM4EKMT2ARORCCYP2D6ADRA2A
SCHEMBL10591294 0.71 LTB4R (0.54) KDM4EKMT2ARORCALDH1A1HPGD
SCHEMBL12798287 0.70 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL23271722 0.69 ACHE (0.40) ALDH1A1MAPTLMNA
SCHEMBL30003534 0.69 ACHE (0.40) ALDH1A1MAPTLMNA
SCHEMBL22919986 0.68 TP53 (0.43) KDM4EKMT2AALDH1A1MAPTHPGD
SCHEMBL28580566 0.67 TYR (0.42) KDM4EPTGDR2KMT2AALDH1A1MAPT
SCHEMBL6656057 0.67 SLC6A2 (0.47) KMT2AALDH1A1MAPTSLC6A4HTR6
SCHEMBL9617390 0.67 RORC (0.58) KMT2ARORCSLC6A4MEN1
SCHEMBL30003537 0.67 CYP2D6 (0.44) KDM4EKMT2AALDH1A1MAPTIGLV6-57

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
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed