SCHEMBL7174103

SCHEMBL7174103

CC/C(=C(\C)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ESR1 P03372 5/20 0.48
ESR2 Q92731 2/20 0.48
CYP19A1 P11511 2/20 0.48
PGR P06401 1/20 0.46
PTGS2 P35354 3/20 0.46
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 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
SCHEMBL349595 1.00 CES2 (0.50) CES2CES1ESR1ESR2CYP19A1
SCHEMBL5279624 1.00 CES2 (0.50) CES2CES1ESR1ESR2CYP19A1
SCHEMBL27243154 0.88 CES2 (0.50) CES2CES1ESR1ESR2CYP19A1
SCHEMBL1792697 0.84 CES2 (0.53) CES2CES1ESR1ESR2PTGS2
SCHEMBL5863245 0.84 CES2 (0.53) CES2CES1ESR1ESR2PTGS2
SCHEMBL585941 0.84 CES2 (0.53) CES2CES1ESR1ESR2PTGS2
SCHEMBL1027804 0.84 CES2 (0.47) CES2CES1ESR1ESR2CYP19A1
SCHEMBL3725992 0.81 PTGS2 (0.62) CES2CES1ESR1PTGS2
SCHEMBL3725995 0.81 PTGS2 (0.62) CES2CES1ESR1PTGS2
SCHEMBL8156308 0.81 PTGS2 (0.62) CES2CES1ESR1PTGS2

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
EP-0797459-B1 COATING PROCESS MEDICARB AB (SE) 2003-05-14 EP disclosed
US-5885647-A Coating process MEDICARB AB (SE) 1999-03-23 US disclosed
EP-0797459-A1 COATING PROCESS MEDICARB AB (SE) 1997-10-01 EP disclosed
WO-1996018423-A1 COATING PROCESS MEDICARB AB (SE) 1996-06-20 WO disclosed
EP-0590723-A1 Block copolymers containing polyaromatic(alkyl)methacrylates and their blends with polycarbonates ENICHEM S.p.A. (IT) 1994-04-06 EP disclosed
US-5284916-A Transparent melt processable compatible thermoplastic blends ISTITUTO GUIDO DONEGANI S.P.A. (IT) 1994-02-08 US disclosed