SCHEMBL4621099

SCHEMBL4621099

Brc1ccc(C#CCCCC#Cc2ccc(Br)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.40
CYP2A6 P11509 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
LSS P48449 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
LMNA P02545 1/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34

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
SCHEMBL797749 0.95 FFAR1 (0.40) PYCR1CYP2A6FFAR1FFAR4MMP2
SCHEMBL15588318 0.93 FFAR1 (0.42) PYCR1CYP2A6FFAR1FFAR4MMP2
SCHEMBL16685905 0.87 GABRP (0.47) PYCR1FFAR1FFAR4MMP2MMP12
SCHEMBL4623168 0.87 FFAR1 (0.46) PYCR1FFAR1FFAR4MMP2MMP12
SCHEMBL16686065 0.87 MMP2 (0.38) PYCR1CYP2A6FFAR1FFAR4MMP2
SCHEMBL24207449 0.84 KDM4E (0.45) PYCR1FFAR1FFAR4MMP2MMP12
SCHEMBL19608720 0.84 ALDH1A1 (0.48) PYCR1FFAR1FFAR4MMP2MMP12
SCHEMBL1897376 0.84 FFAR1 (0.55) PYCR1FFAR1FFAR4MMP2MMP12
SCHEMBL19374612 0.84 FFAR1 (0.38) PYCR1FFAR1FFAR4MMP2MMP12
SCHEMBL6937078 0.84 FFAR1 (0.55) PYCR1FFAR1FFAR4MMP2MMP12

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-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed