SCHEMBL2856947

SCHEMBL2856947

OC(c1ccccc1)(c1ccccc1)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 2/20 0.46
KIF11 P52732 1/20 0.42
CYP2A6 P11509 2/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX15 P16050 1/20 0.38
AKR1C3 P42330 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
KCNN4 O15554 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
SCHEMBL11018098 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1KIF11CYP2A6
SCHEMBL31444839 1.00 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1KIF11CYP2A6
SCHEMBL13865450 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1KIF11CYP2A6
SCHEMBL4432529 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1KIF11CYP2A6
SCHEMBL36629 0.84 CYP1A2 (0.48) ALDH1A1MAPK1MAPTESR1ESR2
SCHEMBL7173455 0.84 CYP1A2 (0.48) ALDH1A1MAPK1MAPTESR1ESR2
SCHEMBL1128869 0.81 KMT2A (0.48) ALDH1A1TDP1MAPK1KIF11MAOA
SCHEMBL3956177 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1KIF11CYP2A6
SCHEMBL17941356 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1KIF11CYP2A6
SCHEMBL3083376 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1KIF11CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3597441-B1 METHOD OF PRODUCING A MULTILAYERED PRODUCT TRIP LICENSES BV (NL) 2021-04-28 EP disclosed
EP-3449315-B1 RADIATION CURABLE DRY TONER AND METHOD FOR PREPARING THE SAME XEIKON MFG NV (BE) 2021-03-31 EP disclosed
US-10919288-B2 Method of producing a multilayered product PROCRAFT DEVELOPMENT BV (NL) 2021-02-16 US disclosed
EP-3510058-A1 POLYMERIZING COMPOSITION, METHOD OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME The University of Massachusetts (US) 2019-07-17 EP disclosed
US-20190202953-A1 POLYMERIZING COMPOSITION, METHOD OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME THE UNIVERSITY OF MASSACHUSETTS 2019-07-04 US disclosed
US-20190129322-A1 Radiation Curable Dry Toner and Method for Preparing the Same XEIKON MANUFACTURING N.V. (BE) 2019-05-02 US disclosed
WO-2018039325-A1 POLYMERIZING COMPOSITION, METHOD OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME THE UNIVERSITY OF MASSACHUSETTS (US) 2018-03-01 WO disclosed
US-7652128-B2 Toner composition XEROX CORPORATION (US) 2010-01-26 US disclosed
EP-1655323-B1 Toner composition XEROX CORP (US) 2010-01-20 EP disclosed
US-20060100300-A1 Toner composition XEROX CORPORATION 2006-05-11 US disclosed
US-4406826-A POLYTHIOL, UNSATURATED MONOMER, METAL W. R. GRACE & CO. (US) 1983-09-27 US disclosed
US-4374963-A Heat curable epoxy-acrylate compositions W. R. GRACE & CO. (US) 1983-02-22 US disclosed
US-4352723-A ULTRAVIOLET RADIATION; PHOTOINITIATOR AND AROMATIC PINACOL W. R. GRACE & CO. (US) 1982-10-05 US disclosed
US-4288527-A Dual UV/thermally curable acrylate compositions with pinacol W. R. GRACE & CO. (US) 1981-09-08 US disclosed
US-4135047-A PREPARATION OF THIOETHERS USING A BENZOPINACOL INITIATOR W. R. GRACE & CO. (US) 1979-01-16 US disclosed
US-4132812-A FREE RADICAL INITIATOR W. R. GRACE & CO. (US) 1979-01-02 US disclosed
US-4117196-A PHOTOCURABLE IMIDIZABLE POLYENE-POLYTHIOL COMPOSITIONS W. R. GRACE & CO. (US) 1978-09-26 US disclosed
US-4117017-A PROCESS FOR PREPARATION OF THIOLS USING A BENZOPINACOL INITIATOR W. R. GRACE & CO. (US) 1978-09-26 US disclosed
US-4080484-A POLYAMIDE-ACID OR POLYIMIDE W. R. GRACE & CO. (US) 1978-03-21 US disclosed
US-4020233-A Heat activated ethylenically unsaturated-polythiol compositions W. R. GRACE & CO. (US) 1977-04-26 US disclosed