SCHEMBL5269801

SCHEMBL5269801

CCCCCCC(C)c1c(O)ccc(Cl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
GPR84 Q9NQS5 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTR1A P08908 1/20 0.35
MAPT P10636 2/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL10774938 0.84 TYR (0.41) TYRGPR84MEN1KMT2ANPSR1
SCHEMBL10603032 0.84 GPR84 (0.43) TYRGPR84MEN1KMT2AHTR1A
SCHEMBL9803051 0.82 GPR84 (0.41) TYRGPR84HTR1ASPHK1TSHR
SCHEMBL9308493 0.80 TYR (0.39) TYRGPR84MEN1KMT2ANPSR1
SCHEMBL5665699 0.78 TYR (0.45) TYRGPR84MEN1KMT2ANPSR1
SCHEMBL5066968 0.78 TYR (0.45) TYRGPR84MEN1KMT2ANPSR1
SCHEMBL6021257 0.78 TYR (0.45) TYRGPR84MEN1KMT2ANPSR1
SCHEMBL5318185 0.78 TYR (0.45) TYRGPR84MEN1KMT2ANPSR1
SCHEMBL31545285 0.77 ALDH1A1 (0.46) GPR84MEN1KMT2AMAPTTSHR
SCHEMBL9281627 0.77 ALDH1A1 (0.46) GPR84MEN1KMT2AMAPTTSHR

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
EP-1755381-A2 ANTIMICROBIAL SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-02-28 EP claimed
WO-2005107456-A2 ANTIMICROBIAL SILICON OXIDE FLAKES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-17 WO claimed