SCHEMBL6287591

SCHEMBL6287591

C=Cc1ccccc1OC(C)CCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
GPR88 Q9GZN0 1/20 0.35
ALDH1A1 P00352 4/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL27528404 0.83 MCHR1 (0.42) MCHR1ALDH1A1CYP1A2TSHRMEN1
SCHEMBL7541880 0.82 SIGMAR1 (0.33) ALDH1A1THRATHRBCYP1A2CYP2C9
SCHEMBL9474830 0.80 CYP2C9 (0.39) ALDH1A1THRATHRBCYP1A2CYP2C9
SCHEMBL5968371 0.80 THRB (0.39) ALDH1A1THRATHRBMEN1KMT2A
SCHEMBL27620992 0.78 MCHR1 (0.47) MCHR1ALDH1A1CYP1A2TSHRMEN1
SCHEMBL406835 0.76 CYP1A2 (0.56) MCHR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6468627 0.76 MAPT (0.35) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL27602427 0.76 NR2E1 (0.39) MCHR1ALDH1A1CYP1A2TSHRMEN1
SCHEMBL6279906 0.76 MCHR1 (0.35) MCHR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4543863 0.76 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C9CYP2C19TSHR

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