SCHEMBL7914830

SCHEMBL7914830

CC(C)=C(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HIF1A Q16665 2/20 0.50
ESR1 P03372 2/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
SRD5A2 P31213 1/20 0.39
KDM1A O60341 1/20 0.38
GSK3B P49841 2/20 0.37
MAPK1 P28482 2/20 0.37
TRPA1 O75762 1/20 0.37
PTPN1 P18031 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11063679 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL11063680 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL16934008 0.83 ALDH1A1 (0.50) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL3940726 0.82 TSHR (0.56) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL3940728 0.82 TSHR (0.56) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL27360289 0.81 ALDH1A1 (0.48) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL28858497 0.79 ALDH1A1 (0.47) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL28858494 0.79 ALDH1A1 (0.47) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL59763 0.77 TSHR (0.50) ALDH1A1HIF1AESR1TSHRDAO
SCHEMBL7875628 0.77 TSHR (0.50) ALDH1A1HIF1AESR1TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255424-B1 COUPLING POLYMERIC PRECURSOR SEGMENTS, EACH HAVING LIVING END CAPABLE OF REACTING IN POLYMERIZATION REACTION, TOGETHER IN CONVERGENT MANNER INVOLVING REACTION OF MULTIFUNCTIONAL COUPLING AGENT TO FORM HYPERBRANCHED STRUCTURE COLORADO SCHOOL OF MINES 2001-07-03 US disclosed
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed
EP-0108627-A2 Cephalosporin derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-16 EP disclosed
US-3969433-A ADDITION POLYMER KOSE AKIRA 1976-07-13 US disclosed