SCHEMBL28811535

SCHEMBL28811535

NCCOB(O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TRPM2 O94759 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 2/20 0.41
TAAR1 Q96RJ0 2/20 0.40
PLA2G2A P14555 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL5370837 0.83 MAPK1 (0.47) MAPK1KDM4EMEN1TRPM2ALDH1A1
Biphenyl SCHEMBL27625440 0.78 MAPK1 (0.53) MAPK1KDM4EMEN1TRPM2ALDH1A1
SCHEMBL27607789 0.74 TAAR1 (0.39) MAPK1KDM4EMEN1TRPM2ALDH1A1
SCHEMBL6660834 0.73 TAAR1 (0.52) MAPK1KDM4EMEN1TRPM2ALDH1A1
SCHEMBL28346397 0.73 ALDH1A1 (0.52) MEN1ALDH1A1ALOX15TSHRKMT2A
SCHEMBL3729896 0.72 LTA4H (0.50) TSHRTDP1LTA4HESR1
SCHEMBL4904165 0.72 TAAR1 (0.75) MAPK1ALDH1A1CYP3A4LTA4HTAAR1
SCHEMBL1992410 0.72 CA1 (0.50) MAPK1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4860138 0.72 LTA4H (0.40) MEN1ALDH1A1HPGDKMT2ALTA4H
SCHEMBL22832991 0.72 MAPK1 (0.78) MAPK1KDM4EMEN1TRPM2ALDH1A1

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-103655658-A Technology for extracting xanthin in plains coreopsis and application of extract thereof URUMCHI SANGAOHE PHARMACEUTICAL CO LTD 2014-03-26 CN disclosed