SCHEMBL6826536

SCHEMBL6826536

C=CC1CC(=O)c2cc(Cl)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PBRM1 Q86U86 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAOB P27338 3/20 0.37
CYP3A4 P08684 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
NT5E P21589 2/20 0.35
S100A4 P26447 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GUSB P08236 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL6827986 0.82 RAB9A (0.51) HTTPBRM1CYP19A1MAOBRAB9A
SCHEMBL6828122 0.82 PBRM1 (0.61) ARPBRM1CYP19A1MAOBCYP3A4
SCHEMBL6828002 0.78 ABCB1 (0.60) ARALDH1A1MAPTHTTCYP19A1
SCHEMBL6825975 0.78 MAOB (0.56) ARMAPTCYP19A1MAOBCYP3A4
SCHEMBL68075 0.76 PBRM1 (0.67) ARALDH1A1MAPTPKMHPGD
SCHEMBL10536102 0.74 AR (0.63) ARALDH1A1MAPTPKMHPGD
SCHEMBL22624375 0.73 AR (0.54) ARALDH1A1MAPTPKMHPGD
SCHEMBL22616365 0.73 AR (0.54) ARALDH1A1MAPTPKMHPGD
SCHEMBL22624453 0.73 AR (0.54) ARALDH1A1MAPTPKMHPGD
SCHEMBL22617371 0.73 AR (0.54) ARALDH1A1MAPTPKMHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004113317-A1 NOVEL ANTIMICROBIAL CHROMAN-4-ONES ERNST-MORITZ-ARNDT- UNIVERSITÄT (DE) 2004-12-29 WO claimed
WO-2004113317-A1 NOVEL ANTIMICROBIAL CHROMAN-4-ONES ERNST-MORITZ-ARNDT- UNIVERSITÄT (DE) 2004-12-29 WO disclosed