SCHEMBL7799443

SCHEMBL7799443

Clc1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.70
GPR3 P46089 1/20 0.54
CYP2A6 P11509 2/20 0.48
PPOX P50336 1/20 0.46
PDK2 Q15119 2/20 0.44
SMARCA2 P51531 1/20 0.43
PTPN1 P18031 1/20 0.42
ITGA1 P56199 1/20 0.42
TP53 P04637 1/20 0.41
AHR P35869 1/20 0.41
TSHR P16473 1/20 0.40
CHEK1 O14757 1/20 0.39
PTPRC P08575 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL12887899 1.00 S100A4 (0.70) S100A4GPR3CYP2A6PPOXPDK2
SCHEMBL28607196 0.91 S100A4 (0.68) S100A4GPR3CYP2A6PPOXPDK2
SCHEMBL8675120 0.88 S100A4 (0.83) S100A4PPOXPTPN1ITGA1TP53
SCHEMBL31677417 0.88 S100A4 (0.57) S100A4GPR3CYP2A6TP53TSHR
SCHEMBL1758264 0.88 S100A4 (0.91) S100A4PPOXPTPN1ITGA1PTPRC
SCHEMBL31677416 0.83 S100A4 (0.57) S100A4GPR3CYP2A6TP53TSHR
SCHEMBL30419890 0.83 S100A4 (0.91) S100A4PPOXPTPN1ITGA1TP53
SCHEMBL301388 0.83 S100A4 (0.91) S100A4PPOXPTPN1ITGA1TP53
SCHEMBL2599398 0.83 S100A4 (1.00) S100A4PPOXPTPN1ITGA1TP53
SCHEMBL38651099 0.83 S100A4 (0.91) S100A4PPOXPTPN1ITGA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1708728-B Radiation-sensitive resin composition JSR CORP 2011-03-16 CN disclosed
CN-101533224-A Radiation-sensitive resin composition JSR CORP (JP) 2009-09-16 CN disclosed
CN-1708728-A Radiation-sensitive resin composition JSR CORP (JP) 2005-12-14 CN disclosed
EP-0599886-B1 MACROMONOMERS HAVING REACTIVE END GROUPS MISSISSIPPI POLYMER TECH INC (US) 2001-03-21 EP disclosed
US-5973075-A POLYPHENYL RESINS MAXDEM INCORPORATION (US) 1999-10-26 US disclosed
US-5827927-A Macromonomers having reactive end groups MAXDEM INCORPORATED (US) 1998-10-27 US disclosed
US-5824744-A RIGID POLYMER RODS AND MACROMONOMERS WITH REACTIVE END GROUPS FOR REINFORCEMENT MAXDEM INCORPORATED (US) 1998-10-20 US disclosed
US-5670564-A Macromonomers having reactive end groups MAXDEM INCORPORATED (US) 1997-09-23 US disclosed
EP-0599886-A4 MACROMONOMERS HAVING REACTIVE END GROUPS. MAXDEM INC (US) 1996-07-24 EP disclosed
EP-0599886-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1994-06-08 EP disclosed
WO-1993004099-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1993-03-04 WO disclosed