SCHEMBL6287554

SCHEMBL6287554

C=Cc1cccc(OC(C)CCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
PTGS2 P35354 1/20 0.36
LNPEP Q9UIQ6 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL29015276 0.87 ALDH1A1 (0.36) TP53TDP1TLR4TLR2MTNR1A
SCHEMBL30483319 0.87 ALDH1A1 (0.36) TP53TDP1TLR4TLR2MTNR1A
SCHEMBL2413304 0.82 KDM4E (0.38) TP53TDP1TLR4TLR2PTGS2
SCHEMBL6287585 0.81 GPR88 (0.41) GPR88TDP1LNPEPALDH1A1PPARG
SCHEMBL1357660 0.81 TLR4 (0.43) TP53TDP1TLR4TLR2PTGS2
SCHEMBL1356997 0.80 ALDH1A1 (0.40) TP53TDP1TLR4TLR2PTGS2
SCHEMBL27524551 0.79 MCHR1 (0.39) TP53TDP1MTNR1AMTNR1BPTGS2
SCHEMBL12879301 0.78 KMT2A (0.48) GPR88MTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL6289223 0.78 TP53 (0.40) TP53TDP1TLR4TLR2PTGS2
SCHEMBL1355045 0.78 TP53 (0.40) TP53TDP1TLR4TLR2MTNR1A

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