SCHEMBL6727043

SCHEMBL6727043

C(#Cc1ccc(C#Cc2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.60
TSHR P16473 1/20 0.60
APP P05067 1/20 0.60
FFAR1 O14842 2/20 0.53
GRM5 P41594 1/20 0.53
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
MAOA P21397 1/20 0.52
MAPT P10636 1/20 0.52
PLA2G2A P14555 1/20 0.48
ACACB O00763 1/20 0.47
HAO1 Q9UJM8 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL14380094 1.00 LTA4H (0.60) LTA4HTSHRAPPFFAR1GRM5
SCHEMBL6287635 0.97 LTA4H (0.63) LTA4HTSHRAPPFFAR1GRM5
SCHEMBL3839253 0.97 APP (0.63) LTA4HTSHRAPPFFAR1GRM5
SCHEMBL5406443 0.91 APP (0.55) LTA4HTSHRAPPFFAR1GRM5
SCHEMBL5414558 0.91 APP (0.55) LTA4HTSHRAPPFFAR1GRM5
SCHEMBL13283919 0.87 LTA4H (0.68) LTA4HAPPFFAR1NR1H2BAX
SCHEMBL3085615 0.87 FFAR1 (0.52) LTA4HTSHRAPPFFAR1GRM5
SCHEMBL9135237 0.84 SRD5A2 (0.68) FFAR1ACACBHAO1
SCHEMBL27673051 0.84 LTA4H (0.52) LTA4HTSHRFFAR1GRM5NR1H2
SCHEMBL17348045 0.84 CYP1A1 (0.59) LTA4HTSHRFFAR1GRM5NR1H2

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
US-20040158024-A1 CROSSLINKING SHELL-CORE POLYMER HONEYWELL INTERNATIONAL INC. 2004-08-12 US disclosed
CN-1494559-A organic composition 霍尼韦尔国际公司 2004-05-05 CN disclosed