SCHEMBL6281447

SCHEMBL6281447

C=Cc1cccc(OCCC(C)CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
TDP1 Q9NUW8 4/20 0.39
TP53 P04637 1/20 0.39
CHRNA7 P36544 2/20 0.38
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
FURIN P09958 1/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
POLB P06746 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6289238 0.86 TDP1 (0.45) TLR4TLR2TDP1TP53CHRNA7
SCHEMBL6283924 0.85 GPBAR1 (0.47) TLR4TLR2TDP1TP53TSHR
SCHEMBL17138131 0.84 TSHR (0.45) TDP1TP53TSHRSMN1; SMN2KDM4E
SCHEMBL6280256 0.82 TLR4 (0.43) TLR4TLR2TDP1TP53CHRNA7
SCHEMBL6285280 0.81 CHRNA7 (0.55) TDP1TP53CHRNA7SMN1; SMN2KDM4E
SCHEMBL412110 0.81 KMT2A (0.50) TLR4TLR2TDP1TP53CHRNA7
SCHEMBL412094 0.80 TLR4 (0.60) TLR4TLR2TDP1TP53CHRNA7
SCHEMBL6281442 0.79 HIF1A (0.40) TLR4TLR2TDP1TP53TSHR
SCHEMBL3444786 0.79 KMT2A (0.43) TLR4TLR2TDP1TP53CHRNA7
SCHEMBL17220096 0.79 NPSR1 (0.41) TLR4TLR2TDP1TP53CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed