SCHEMBL17420728

SCHEMBL17420728

CCOC(I)(OCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
KCNN4 O15554 5/20 0.40
MAPK1 P28482 1/20 0.39
KIF11 P52732 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
LTA4H P09960 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL2350021 0.76 KIF11 (0.56) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL7053535 0.76 KCNN4 (0.43) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL379267 0.76 KCNN4 (0.43) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL11156805 0.76 KCNN4 (0.43) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL9721378 0.74 KCNN4 (0.41) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL661183 0.74 MAPK1 (0.46) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL43427 0.74 MAPK1 (0.58) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL1802466 0.74 MAPK1 (0.46) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL28131335 0.74 KCNN4 (0.41) ALDH1A1ALOX15KCNN4MAPK1KIF11
SCHEMBL28800774 0.74 KCNN4 (0.41) ALDH1A1ALOX15KCNN4MAPK1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633470-B2 Method of producing a conjugated diene polymer, a modified conjugated diene polymer, and a vinyl cis-polybutadiene composition UBE INDUSTRIES, LTD. (JP) 2020-04-28 US disclosed
US-10508163-B2 Conjugated diene polymer and modified conjugated diene polymer produced using the same, rubber composition for tire, and rubber composition for rubber belt UBE INDUSTRIES, LTD. (JP) 2019-12-17 US disclosed
US-20190256628-A1 Method of Producing a Conjugated Diene Polymer, a Modified Conjugated Diene Polymer, and a Vinyl Cis-Polybutadiene Composition UBE INDUSTRIES, LTD. (JP) 2019-08-22 US disclosed
US-10053526-B2 Catalyst for conjugated diene polymerization, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and compositions comprising foregoing UBE INDUSTRIES, LTD. (JP) 2018-08-21 US disclosed
US-20180079844-A1 \"Conjugated Diene Polymer and Modified Conjugated Diene Polymer Produced Using the Same, Rubber Composition for Tire, And Rubber Composition for Rubber Belt\ UBE INDUSTRIES, LTD. (JP) 2018-03-22 US disclosed
EP-2975067-B1 CATALYST FOR USE IN POLYMERIZATION OF CONJUGATED DIENE, CONJUGATED DIENE POLYMER AND MODIFIED CONJUGATED DIENE POLYMER EACH PRODUCED USING SAID CATALYST, METHODS RESPECTIVELY FOR PRODUCING SAID POLYMERS, RUBBER COMPOSITION FOR TIRES, AND RUBBER COMPOSITION FOR RUBBER BELTS UBE INDUSTRIES (JP) 2017-10-04 EP disclosed
US-20170158786-A1 CATALYST FOR CONJUGATED DIENE POLYMERIZATION, CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, POLYBUTADIENE, AND COMPOSITIONS COMPRISING FOREGOING UBE INDUSTRIES, LTD. (JP) 2017-06-08 US disclosed
EP-2975067-A1 CATALYST FOR USE IN POLYMERIZATION OF CONJUGATED DIENE, CONJUGATED DIENE POLYMER AND MODIFIED CONJUGATED DIENE POLYMER EACH PRODUCED USING SAID CATALYST, METHODS RESPECTIVELY FOR PRODUCING SAID POLYMERS, RUBBER COMPOSITION FOR TIRES, AND RUBBER COMPOSITION FOR RUBBER BELTS UBE Industries, Ltd. (JP) 2016-01-20 EP disclosed
US-20160009835-A1 Catalyst for Conjugated Diene Polymerization, Conjugated Diene Polymer and Modified Conjugated Diene Polymer Produced Using the Same, Production Methods Thereof, Rubber Composition for Tire, and Rubber Composition for Rubber Belt UBE INDUSTRIES, LTD. (JP) 2016-01-14 US disclosed