SCHEMBL7525941

SCHEMBL7525941

O=C(O)C(Cc1ccccc1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
CTBP2 P56545 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
SRD5A2 P31213 2/20 0.43
MDM2 Q00987 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL10606501 0.85 PLAU (0.56) CES1CES2CTBP2KMT2AMEN1
SCHEMBL384894 0.84 CES1 (0.64) CES1CES2AKR1B1CTBP2KMT2A
SCHEMBL3881031 0.84 CES1 (0.64) CES1CES2AKR1B1CTBP2KMT2A
SCHEMBL384895 0.84 CES1 (0.64) CES1CES2AKR1B1CTBP2KMT2A
SCHEMBL28130009 0.84 CES1 (0.48) CES1CES2AKR1B1KMT2AMEN1
SCHEMBL10603224 0.83 USP2 (0.54) CES1CES2CTBP2KMT2AMEN1
SCHEMBL28157535 0.82 CES1 (0.47) CES1CES2AKR1B1KMT2AMEN1
SCHEMBL304073 0.82 CES1 (0.61) CES1CES2AKR1B1CTBP2KMT2A
SCHEMBL304071 0.82 CES1 (0.61) CES1CES2AKR1B1CTBP2KMT2A
SCHEMBL890442 0.82 CES1 (0.50) CES1CES2AKR1B1CTBP2KMT2A

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
EP-0885061-B1 CHITIN OR CHITIN DERIVATIVE MICROCAPSULES CONTAINING A HYDROPHOBIC SUBSTANCE, PARTICULARLY A SUN FILTER AND METHOD FOR PREPARING SUCH MICROCAPSULES MERCK S A (FR) 2002-02-20 EP claimed
EP-0158357-B1 METHOD OF FORMING RESIST MICROPATTERN NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-02-27 EP claimed
US-4634645-A FORMING RECESSED PATTERN WITH ENERGY BEAM NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1987-01-06 US claimed
EP-0158357-A2 Method of forming resist micropattern NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1985-10-16 EP claimed