SCHEMBL7968952

SCHEMBL7968952

Cc1cc(-c2ccc(C3(C)OC(=O)C(O)=C3O)cc2)c2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7956293 0.87 TLR8 (0.39) GPR84CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7972384 0.83 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7956082 0.82 DHFR (0.37) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7968977 0.78 MAOB (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6026628 0.78 MEN1 (0.37) ALDH1A1MEN1KMT2ACHRNA1CHRNG
SCHEMBL7956291 0.78 PTGER3 (0.40) KDM4EALDH1A1MAPTHPGDCHRNA1
SCHEMBL6026165 0.78 HSD17B1 (0.38) ALDH1A1MAPTMEN1KMT2AMAOA
SCHEMBL7972422 0.76 GPR84 (0.39) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL7984718 0.76 CHRNA1 (0.42) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL7983353 0.76 CHRNA1 (0.42) KDM4EALDH1A1MAPTHPGDMEN1

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed