SCHEMBL7654134

SCHEMBL7654134

[CH2]CCCCc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CHRNA7 P36544 2/20 0.31
CHRNA10 Q9GZZ6 2/20 0.31
CHRNA9 Q9UGM1 2/20 0.31
PARP1 P09874 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
RAB9A P51151 1/20 0.30
RCE1 Q9Y256 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7651876 0.98 CHRNA7 (0.33) DPP4PDCD1CD274RXRARXRB
SCHEMBL7653224 0.95 DPP4 (0.34) DPP4PDCD1CD274PARP1GPR84
SCHEMBL7650202 0.87 DPP4 (0.36) DPP4PDCD1CD274PARP1RAB9A
SCHEMBL27453595 0.82 LIPG (0.43) GPR84KDM4EMEN1ALDH1A1MAPT
SCHEMBL5548261 0.79 DPP4 (0.50) DPP4PDCD1CD274KMT2A
SCHEMBL7648144 0.79 DPP4 (0.39) DPP4PDCD1CD274PARP1RAB9A
SCHEMBL5541755 0.78 DPP4 (0.48) DPP4PDCD1CD274CHRNA7CHRNA10
SCHEMBL7654737 0.78 CNR2 (0.38) KDM4EALDH1A1MAPTHPGD
SCHEMBL7648088 0.76 CYP1A2 (0.48) GPR84ALDH1A1
SCHEMBL7653189 0.76 LIPG (0.41) KDM4EMEN1ALDH1A1MAPTHPGD

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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed