SCHEMBL4189018

SCHEMBL4189018

C=COC(=O)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 2/20 0.47
EGLN2 Q96KS0 1/20 0.47
P4HB P07237 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC2A1 P11166 1/20 0.46
SLC2A4 P14672 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
FASN P49327 1/20 0.44
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL156225 0.88 ATM (0.41) RAB9AALDH1A1ESR1ESR2
SCHEMBL9695513 0.81 UNG (0.47) CA12CA1CA2CA6CA9
SCHEMBL715983 0.80 PARP1 (0.52) PARP1KDM4ENPC1RAB9AALDH1A1
SCHEMBL3623562 0.80 PARP1 (0.52) PARP1KDM4ENPC1RAB9AALDH1A1
SCHEMBL1018324 0.80 PARP1 (0.52) PARP1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2836190 0.80 CES2 (0.55) PARP1NPC1RAB9AALDH1A1ESR1
SCHEMBL16523168 0.79 ATM (0.34) RAB9AALDH1A1ESR1ESR2
SCHEMBL28440522 0.78 CA12 (0.61) CA12CA1CA2CA6CA9
Benzoic Acid Vinyl Ester SCHEMBL14903 0.78 LMNA (0.56) ALDH1A1
Benzoic Acid Vinyl Ester SCHEMBL28106984 0.78 LMNA (0.56) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109072043-B Allergen activity reducing agent composition 太阳星光齿磨公司 2021-07-30 CN claimed
US-9873781-B2 Acrylic rubber composition, acrylic rubber molded product, and method for producing same DAIKIN INDUSTRIES, LTD. (JP) 2018-01-23 US disclosed
CN-104254564-B Acrylic rubber composition, and crosslinked product thereof 日本瑞翁株式会社 2017-05-24 CN disclosed
EP-2803700-B1 ACRYLIC RUBBER COMPOSITION, ACRYLIC RUBBER MOLDED PRODUCT, AND METHOD FOR PRODUCING SAME DAIKIN IND LTD (JP) 2016-07-20 EP disclosed
US-20140346707-A1 ACRYLIC RUBBER COMPOSITION, ACRYLIC RUBBER MOLDED PRODUCT, AND METHOD FOR PRODUCING SAME DAIKIN INDUSTRIES, LTD. (JP) 2014-11-27 US disclosed
EP-2803700-A1 ACRYLIC RUBBER COMPOSITION, ACRYLIC RUBBER MOLDED PRODUCT, AND METHOD FOR PRODUCING SAME Daikin Industries, Ltd. (JP) 2014-11-19 EP disclosed
US-20090247698-A1 Method for esterification of polyvinyl alcohol-based resin, resultant modified polyvinyl alcohol-based resin, and method for production of the same JAPAN VAM & POVAL CO., LTD (JP) 2009-10-01 US disclosed