SCHEMBL5408181

SCHEMBL5408181

CCC(=C(C(=O)OC#N)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ESR1 P03372 7/20 0.39
CYP19A1 P11511 4/20 0.39
ESR2 Q92731 2/20 0.39
PGR P06401 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL1985861 0.80 TSHR (0.47) CES2CES1ESR1CYP19A1ESR2
SCHEMBL1985863 0.80 TSHR (0.47) CES2CES1ESR1CYP19A1ESR2
SCHEMBL6475627 0.76 CES2 (0.44) CES2CES1ESR1CYP19A1ESR2
SCHEMBL1982010 0.76 CES2 (0.50) CES2CES1ESR1CYP19A1ESR2
SCHEMBL1982008 0.76 CES2 (0.50) CES2CES1ESR1CYP19A1ESR2
SCHEMBL11503437 0.74 CES2 (0.59) CES2CES1ESR1CYP19A1ESR2
SCHEMBL11638627 0.74 CES2 (0.59) CES2CES1ESR1CYP19A1ESR2
SCHEMBL28441508 0.73 ALDH1A1 (0.48) CYP19A1ALDH1A1MAPT
SCHEMBL28285748 0.71 TSHR (0.44) CES2CES1CYP19A1LMNAALDH1A1
SCHEMBL2369039 0.71 MAPT (0.49) LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232857-B2 Radiation hardenable adhesive composition containing dispersed natural rubber fine particles TOPPAN FORMS CO., LTD. (JP) 2007-06-19 US disclosed
EP-1398360-B1 RADIATION HARDENABLE ADHESIVE COMPOSITION CONTAINING DISPERSED NATURAL RUBBER FINE PARTICLES TOPPAN FORMS CO LTD (JP) 2006-08-16 EP disclosed
US-20050080181-A1 Radiation hardenable adhesive composition containing dispersed natural rubber fine particles TOPPAN FORMS CO., LTD. (JP) 2005-04-14 US disclosed
EP-1398360-A1 RADIATION HARDENABLE ADHESIVE COMPOSITION CONTAINING DISPERSED NATURAL RUBBER FINE PARTICLES Toppan Forms Co., Ltd (JP) 2004-03-17 EP disclosed