SCHEMBL135045

SCHEMBL135045

COC(CCC(=O)O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.54
SRC P12931 1/20 0.42
NR4A2 P43354 1/20 0.41
CYP2C19 P33261 2/20 0.39
KCNN4 O15554 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 6/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL14932471 0.85 CES1 (0.44) CES1SRCNR4A2CYP2C19HIF1A
SCHEMBL10456740 0.82 CES1 (0.59) CES1SRCCYP2C19KCNN4HIF1A
SCHEMBL36097 0.82 CES1 (0.59) CES1SRCCYP2C19KCNN4HIF1A
SCHEMBL8661494 0.81 CES1 (0.50) CES1SRCKCNN4TSHRCES2
SCHEMBL11544290 0.80 CES1 (0.49) CES1SRCKCNN4TSHRCES2
Methoxymethane SCHEMBL5530887 0.79 CES1 (0.51) CES1SRCNR4A2CYP2C19KCNN4
SCHEMBL2190401 0.79 CES1 (0.56) CES1SRCCYP2C19KCNN4HIF1A
SCHEMBL7201864 0.79 CES1 (0.50) CES1SRCNR4A2CYP2C19HIF1A
SCHEMBL3267061 0.79 CES1 (0.48) CES1SRCALDH1A1GAALMNA
SCHEMBL22812891 0.78 CES1 (0.42) CES1ALDH1A1GAALMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9279038-B2 Method for producing cross-linked elastomer SEMPERIT AKTIENGESELLSCHAFT HOLDING (AT) 2016-03-08 US disclosed
EP-1762586-B1 Method for producing a crosslinked elastomer SEMPERIT AG HOLDING (AT) 2012-03-07 EP disclosed
US-7875698-B2 comprising dendritic polymer core of hyperbranched polyglycidol; for use in radiation curable varnishes, lacquers, printing inks, and inkjet inks AGFA GRAPHICS NV (BE) 2011-01-25 US disclosed
US-7875698-B2 comprising dendritic polymer core of hyperbranched polyglycidol; for use in radiation curable varnishes, lacquers, printing inks, and inkjet inks AGFA GRAPHICS NV (BE) 2011-01-25 US disclosed
US-7795324-B2 Radiation curable compositions AGFA GRAPHICS, N.V. (BE) 2010-09-14 US disclosed
US-7795324-B2 Radiation curable compositions AGFA GRAPHICS, N.V. (BE) 2010-09-14 US disclosed
EP-1674499-B1 Radiation curable compositions AGFA GRAPHICS NV (BE) 2009-12-16 EP disclosed
US-7538144-B2 Photoreactive polymers AGFA GRAPHICS, N.V. (BE) 2009-05-26 US disclosed
US-7538144-B2 Photoreactive polymers AGFA GRAPHICS, N.V. (BE) 2009-05-26 US disclosed
US-7507773-B2 Dendritic polymer core, e.g., hyperbranched polyglycidol, with at least one initiating functional group and at least one co-initiating functional group that is an aliphatic amine, an aromatic amine or a thiol; ink jet inks AGFA GRAPHICS N.V. (BE) 2009-03-24 US disclosed
EP-1616920-B1 Novel polymeric initiators AGFA GRAPHICS NV (BE) 2008-02-20 EP disclosed
EP-1616921-B1 Novel radiation curable compositions AGFA GRAPHICS NV (BE) 2007-10-31 EP disclosed
US-20070105971-A1 METHOD FOR PRODUCING CROSS-LINKED ELASTOMER SEMPERIT AKTIENGESELLSCHAFT HOLDING (AT) 2007-05-10 US disclosed
EP-1762586-A2 Method for producing a crosslinked elastomer Semperit Aktiengesellschaft Holding (AT) 2007-03-14 EP disclosed
EP-0302827-B1 Process for the formation of images CIBA GEIGY AG (CH) 1994-07-06 EP disclosed
EP-0302831-B1 COMPOUNDS CIBA-GEIGY AG (CH) 1993-05-12 EP disclosed
US-5100987-A Acrylic ester copolymer; photoresists CIBA-GEIGY CORPORATION (US) 1992-03-31 US disclosed
US-4977293-A Polymeric photoinitiators useful in electrodepositable photoresists CIBA-GEIGY CORPORATION (US) 1990-12-11 US disclosed
EP-0302827-A2 Process for the formation of images CIBA-GEIGY AG (CH) 1989-02-08 EP disclosed
EP-0302831-A2 Compounds CIBA-GEIGY AG (CH) 1989-02-08 EP disclosed