SCHEMBL7776375

SCHEMBL7776375

CCCCCCOCC=C(C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
LSS P48449 1/20 0.44
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.40
PLA2G2C Q5R387 2/20 0.40
NAAA Q02083 1/20 0.39
FAAH O00519 4/20 0.38
HCAR2 Q8TDS4 1/20 0.38
EPHX1 P07099 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SOAT1 P35610 1/20 0.37

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
SCHEMBL454527 0.93 ALDH1A1 (0.41) CES2LSSMAPTTSHRFAAH
SCHEMBL3672318 0.93 ALDH1A1 (0.41) CES2LSSMAPTTSHRFAAH
SCHEMBL2301866 0.85 CES2 (0.31) CES2HCAR2
SCHEMBL28550746 0.85 ALDH1A1 (0.37) CES2LSSMAPTTSHRFAAH
SCHEMBL1684993 0.84 CES2 (0.52) CES2LSSHTTMEN1KMT2A
SCHEMBL2829659 0.77 ALOX15 (0.36) THRBTSHR
SCHEMBL29048956 0.77 LSS (0.51) CES2LSSHTTMEN1KMT2A
SCHEMBL28264229 0.77 LSS (0.51) CES2LSSHTTMEN1KMT2A
SCHEMBL9396040 0.77 LSS (0.51) CES2LSSHTTMEN1KMT2A
SCHEMBL554258 0.77 TSHR (0.41) CES2MEN1KMT2AMAPTTSHR

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
EP-0755803-B1 LITHOGRAPHIC FORM PLATE TORAY INDUSTRIES (JP) 2001-07-25 EP disclosed
US-6093509-A NON-IMAGE AREA COMPRISE A HYDROPHILIC SWELLABLE LAYER WITH SPEACIFIC WATER ABSORBABILITY, MODULUS AND WATER SWELLING RATIO TORAY INDUSTRIES, INC. (JP) 2000-07-25 US disclosed
EP-0755803-A1 LITHOGRAPHIC FORM PLATE TORAY INDUSTRIES, INC. (JP) 1997-01-29 EP disclosed