SCHEMBL21707192

SCHEMBL21707192

Brc1ccc(-c2ccc(C(Cc3ccc(C/C(=C/c4cccc5ccccc45)c4ccccc4)cc3)c3ccccc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 2/20 0.37
THRB P10828 1/20 0.35
MME P08473 1/20 0.34
PDPK1 O15530 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTR2A P28223 1/20 0.32
CAPN1 P07384 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
CTSB P07858 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL25681190 0.73 SIGMAR1 (0.34) ACP3KDM4EGAAPTPN1
SCHEMBL19832034 0.71 ALDH1A1 (0.58) ACP3MMEHTR2ASLC6A2SLC6A4
SCHEMBL19784912 0.71 ALDH1A1 (0.38) PDPK1GAA
SCHEMBL19784598 0.69 SIGMAR1 (0.37) ACP3KDM4EPTPN1
SCHEMBL19784911 0.69 ACP3 (0.39) ACP3THRBHTR2ASLC6A2SLC6A4
SCHEMBL19832031 0.68 PTPN1 (0.38) PTPN1
SCHEMBL19784913 0.68 ALDH1A1 (0.46) MMEPDPK1GAA
SCHEMBL14209227 0.68 HTR2A (0.57) ACP3CNR2CNR1MMEHTR2A
SCHEMBL23790894 0.65 SLC6A2 (0.36) CNR2CNR1SLC6A2SLC6A4
SCHEMBL4659614 0.65 SLC6A2 (0.59) ACP3CNR1MMEHTR2ASLC6A2

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
WO-2020032428-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2020-02-13 WO disclosed