SCHEMBL5316461

SCHEMBL5316461

CCCCCCCCSc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
TLR8 Q9NR97 1/20 0.44
EPHX2 P34913 1/20 0.42
SOAT1 P35610 8/20 0.41
IFNAR1 P17181 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL25738323 1.00 PTGS2 (0.50) PTGS2CYSLTR2CYSLTR1TLR8EPHX2
SCHEMBL30417186 0.98 PTGS2 (0.49) PTGS2CYSLTR2CYSLTR1TLR8EPHX2
SCHEMBL18758015 0.98 PTGS2 (0.49) PTGS2CYSLTR2CYSLTR1TLR8EPHX2
SCHEMBL2607673 0.93 TLR8 (0.50) PTGS2TLR8IFNAR1NPC1ALDH1A1
SCHEMBL2607777 0.85 IFNAR1 (0.45) PTGS2TLR8IFNAR1ALDH1A1SMN1; SMN2
SCHEMBL6293960 0.85 IFNAR1 (0.43) IFNAR1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8048467 0.84 PTGS2 (0.49) PTGS2CYSLTR2CYSLTR1TLR8EPHX2
SCHEMBL8573907 0.83 IFNAR1 (0.39) PTGS2IFNAR1KDM4ENPC1ALDH1A1
SCHEMBL9850477 0.83 PTGS2 (0.46) PTGS2CYSLTR2CYSLTR1TLR8EPHX2
SCHEMBL8741439 0.83 PTGS2 (0.50) PTGS2CYSLTR2CYSLTR1TLR8EPHX2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-1998005721-A1 POLYESTER BASED OPTICAL FIBER COATINGS ALLIEDSIGNAL INC. (US) 1998-02-12 WO disclosed
US-5672675-A Vinyl ether-terminated polyester oligomer stabilizers for vinyl ether-based coating systems ALLIEDSIGNAL, INC. (US) 1997-09-30 US disclosed
US-5514727-A OPTICAL FIBER COATINGS, POLYETHER OR POLYESTER POLYOLS ENDCAPPED WITH HYDROXY VINYL ETHER ALLIEDSIGNAL INC. (US) 1996-05-07 US disclosed
WO-1996006142-A1 POLYESTER BASED OPTICAL FIBER COATINGS ALLIEDSIGNAL INC. (US) 1996-02-29 WO disclosed