SCHEMBL7871397

SCHEMBL7871397

C=CCCCCc1ccc(Nc2cccc(-c3ccccc3C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 3/20 0.43
HTR7 P34969 2/20 0.41
CNR1 P21554 1/20 0.40
NR1H4 Q96RI1 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
PLCG1 P19174 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
PLA2G7 Q13093 1/20 0.32
CASR P41180 1/20 0.32
PTGER4 P35408 1/20 0.32
ERBB2 P04626 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7871385 0.83 FFAR1 (0.45) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL7871350 0.83 FFAR1 (0.47) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL7874946 0.81 FFAR1 (0.49) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL7871392 0.81 PDE4B (0.37) FFAR1FFAR4NPSR1ALDH1A1
SCHEMBL7877474 0.80 FFAR1 (0.51) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL5843455 0.77 CNR1 (0.47) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL30232756 0.77 CNR1 (0.54) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL130523 0.77 CNR1 (0.54) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL22356061 0.76 CNR1 (0.55) FFAR1FFAR4HTR7CNR1NR1H4
SCHEMBL5845998 0.75 CNR1 (0.43) FFAR1FFAR4HTR7CNR1NR1H4

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-20010017155-A1 Of monovinylated triarylamine monomers; use in light emitting diodes or as components of photorefractive materials CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-30 US disclosed